USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 122 ASN :FLIP amide:sc= -8.02! C(o=-8.8!,f=-8!) USER MOD Set 2.1: A 44 SER OG : rot 100:sc= 0.351 USER MOD Set 2.2: A 131 LYS NZ :NH3+ -126:sc= 0.0993 (180deg=-1.09) USER MOD Single : A 8 TYR OH : rot 30:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc=-0.00153 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 CYS SG : rot 28:sc= 0.00559 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -119:sc= -7.89! (180deg=-15.6!) USER MOD Single : A 45 SER OG : rot 3:sc= 0.739 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.222 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 CYS SG : rot -52:sc= -1.35 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 76:sc= -1.02 USER MOD Single : A 64 SER OG : rot 140:sc= -3.12 USER MOD Single : A 68 CYS SG : rot -91:sc= 0.336 USER MOD Single : A 71 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0765) USER MOD Single : A 77 SER OG : rot -168:sc= -0.462! USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN :FLIP amide:sc= -1.43 F(o=-2,f=-1.4) USER MOD Single : A 97 TYR OH : rot -120:sc= 0.836 USER MOD Single : A 98 ASN : amide:sc= -0.0177 X(o=-0.018,f=0) USER MOD Single : A 99 ASN : amide:sc= -0.0782 X(o=-0.078,f=-0.47) USER MOD Single : A 102 TYR OH : rot 135:sc= 0.323! USER MOD Single : A 103 ASN : amide:sc=-0.00843 X(o=-0.0084,f=-0.11) USER MOD Single : A 104 SER OG : rot 61:sc= -0.147 USER MOD Single : A 110 HIS : +bothHN:sc= -7.27! C(o=-7.3!,f=-13!) USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 116 THR OG1 : rot -69:sc= 0.845 USER MOD Single : A 117 CYS SG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -2.58! C(o=-2.6!,f=-3.9!) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot -102:sc= 0.2 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 -6.653 17.488 8.666 1.00 0.00 N ATOM 14 CA LEU A 2 -5.582 16.534 8.901 1.00 0.00 C ATOM 15 C LEU A 2 -5.781 15.876 10.268 1.00 0.00 C ATOM 16 O LEU A 2 -5.914 16.564 11.279 1.00 0.00 O ATOM 17 CB LEU A 2 -4.219 17.208 8.736 1.00 0.00 C ATOM 18 CG LEU A 2 -3.638 17.207 7.321 1.00 0.00 C ATOM 19 CD1 LEU A 2 -2.444 18.159 7.218 1.00 0.00 C ATOM 20 CD2 LEU A 2 -3.280 15.788 6.875 1.00 0.00 C ATOM 0 HA LEU A 2 -5.611 15.738 8.157 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.304 18.241 9.072 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -3.509 16.714 9.399 1.00 0.00 H new ATOM 0 HG LEU A 2 -4.403 17.575 6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -2.050 18.139 6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -2.764 19.172 7.464 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.667 17.845 7.915 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -2.869 15.817 5.866 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.540 15.368 7.556 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -4.176 15.167 6.885 1.00 0.00 H new ATOM 32 N PRO A 3 -5.797 14.516 10.255 1.00 0.00 N ATOM 33 CA PRO A 3 -5.977 13.758 11.481 1.00 0.00 C ATOM 34 C PRO A 3 -4.702 13.770 12.326 1.00 0.00 C ATOM 35 O PRO A 3 -3.633 14.131 11.837 1.00 0.00 O ATOM 36 CB PRO A 3 -6.375 12.364 11.027 1.00 0.00 C ATOM 37 CG PRO A 3 -5.953 12.264 9.570 1.00 0.00 C ATOM 38 CD PRO A 3 -5.643 13.668 9.077 1.00 0.00 C ATOM 0 HA PRO A 3 -6.742 14.185 12.130 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.882 11.601 11.630 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.449 12.210 11.134 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.078 11.622 9.469 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -6.747 11.816 8.972 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.633 13.732 8.672 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.325 13.968 8.281 1.00 0.00 H new ATOM 46 N PRO A 4 -4.861 13.359 13.613 1.00 0.00 N ATOM 47 CA PRO A 4 -3.735 13.320 14.531 1.00 0.00 C ATOM 48 C PRO A 4 -2.824 12.130 14.227 1.00 0.00 C ATOM 49 O PRO A 4 -3.301 11.021 13.992 1.00 0.00 O ATOM 50 CB PRO A 4 -4.359 13.253 15.915 1.00 0.00 C ATOM 51 CG PRO A 4 -5.792 12.791 15.706 1.00 0.00 C ATOM 52 CD PRO A 4 -6.112 12.925 14.226 1.00 0.00 C ATOM 0 HA PRO A 4 -3.088 14.193 14.443 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.815 12.559 16.555 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.330 14.227 16.404 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.911 11.757 16.031 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -6.478 13.393 16.301 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.450 11.977 13.807 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -6.908 13.650 14.057 1.00 0.00 H new ATOM 60 N PRO A 5 -1.492 12.406 14.245 1.00 0.00 N ATOM 61 CA PRO A 5 -0.508 11.371 13.975 1.00 0.00 C ATOM 62 C PRO A 5 -0.363 10.428 15.171 1.00 0.00 C ATOM 63 O PRO A 5 -0.257 10.877 16.311 1.00 0.00 O ATOM 64 CB PRO A 5 0.773 12.121 13.651 1.00 0.00 C ATOM 65 CG PRO A 5 0.585 13.525 14.202 1.00 0.00 C ATOM 66 CD PRO A 5 -0.890 13.707 14.521 1.00 0.00 C ATOM 0 HA PRO A 5 -0.795 10.723 13.146 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.636 11.635 14.106 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.951 12.144 12.576 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.190 13.668 15.098 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.913 14.268 13.475 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -1.037 13.999 15.561 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.335 14.488 13.905 1.00 0.00 H new ATOM 74 N GLU A 6 -0.361 9.138 14.869 1.00 0.00 N ATOM 75 CA GLU A 6 -0.231 8.127 15.905 1.00 0.00 C ATOM 76 C GLU A 6 1.184 7.543 15.901 1.00 0.00 C ATOM 77 O GLU A 6 1.829 7.476 14.856 1.00 0.00 O ATOM 78 CB GLU A 6 -1.279 7.027 15.733 1.00 0.00 C ATOM 79 CG GLU A 6 -2.507 7.298 16.603 1.00 0.00 C ATOM 80 CD GLU A 6 -3.595 6.248 16.361 1.00 0.00 C ATOM 81 OE1 GLU A 6 -3.269 5.050 16.505 1.00 0.00 O ATOM 82 OE2 GLU A 6 -4.726 6.668 16.037 1.00 0.00 O ATOM 0 H GLU A 6 -0.447 8.770 13.922 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.406 8.600 16.871 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.577 6.965 14.686 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.846 6.063 15.999 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -2.220 7.293 17.655 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.900 8.291 16.384 1.00 0.00 H new ATOM 89 N PRO A 7 1.636 7.125 17.113 1.00 0.00 N ATOM 90 CA PRO A 7 2.962 6.549 17.259 1.00 0.00 C ATOM 91 C PRO A 7 3.002 5.120 16.713 1.00 0.00 C ATOM 92 O PRO A 7 2.281 4.248 17.193 1.00 0.00 O ATOM 93 CB PRO A 7 3.262 6.624 18.748 1.00 0.00 C ATOM 94 CG PRO A 7 1.918 6.809 19.435 1.00 0.00 C ATOM 95 CD PRO A 7 0.900 7.189 18.373 1.00 0.00 C ATOM 0 HA PRO A 7 3.719 7.085 16.686 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.755 5.715 19.093 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.932 7.455 18.970 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.618 5.891 19.940 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.983 7.586 20.197 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.054 6.502 18.372 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.500 8.188 18.547 1.00 0.00 H new ATOM 103 N TYR A 8 3.853 4.926 15.715 1.00 0.00 N ATOM 104 CA TYR A 8 3.996 3.619 15.099 1.00 0.00 C ATOM 105 C TYR A 8 5.110 2.815 15.772 1.00 0.00 C ATOM 106 O TYR A 8 6.207 3.328 15.988 1.00 0.00 O ATOM 107 CB TYR A 8 4.381 3.881 13.641 1.00 0.00 C ATOM 108 CG TYR A 8 5.192 2.753 13.000 1.00 0.00 C ATOM 109 CD1 TYR A 8 4.567 1.579 12.627 1.00 0.00 C ATOM 110 CD2 TYR A 8 6.548 2.908 12.793 1.00 0.00 C ATOM 111 CE1 TYR A 8 5.331 0.518 12.023 1.00 0.00 C ATOM 112 CE2 TYR A 8 7.311 1.847 12.189 1.00 0.00 C ATOM 113 CZ TYR A 8 6.664 0.704 11.834 1.00 0.00 C ATOM 114 OH TYR A 8 7.384 -0.299 11.264 1.00 0.00 O ATOM 0 H TYR A 8 4.450 5.652 15.319 1.00 0.00 H new ATOM 0 HA TYR A 8 3.073 3.047 15.192 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.473 4.038 13.059 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.957 4.805 13.588 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.506 1.457 12.788 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.037 3.826 13.084 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.855 -0.405 11.727 1.00 0.00 H new ATOM 0 HE2 TYR A 8 8.372 1.956 12.022 1.00 0.00 H new ATOM 0 HH TYR A 8 6.810 -0.808 10.654 1.00 0.00 H new ATOM 207 N SER A 14 7.275 -9.153 7.363 1.00 0.00 N ATOM 208 CA SER A 14 7.639 -10.210 6.435 1.00 0.00 C ATOM 209 C SER A 14 6.807 -10.093 5.156 1.00 0.00 C ATOM 210 O SER A 14 5.612 -9.807 5.214 1.00 0.00 O ATOM 211 CB SER A 14 7.449 -11.589 7.069 1.00 0.00 C ATOM 212 OG SER A 14 8.608 -12.016 7.779 1.00 0.00 O ATOM 0 HA SER A 14 8.694 -10.098 6.185 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.598 -11.561 7.749 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.212 -12.316 6.292 1.00 0.00 H new ATOM 0 HG SER A 14 8.445 -12.900 8.170 1.00 0.00 H new ATOM 218 N TYR A 15 7.470 -10.324 4.033 1.00 0.00 N ATOM 219 CA TYR A 15 6.807 -10.248 2.743 1.00 0.00 C ATOM 220 C TYR A 15 6.667 -11.636 2.117 1.00 0.00 C ATOM 221 O TYR A 15 7.535 -12.491 2.291 1.00 0.00 O ATOM 222 CB TYR A 15 7.710 -9.390 1.854 1.00 0.00 C ATOM 223 CG TYR A 15 7.823 -7.932 2.306 1.00 0.00 C ATOM 224 CD1 TYR A 15 8.507 -7.620 3.464 1.00 0.00 C ATOM 225 CD2 TYR A 15 7.242 -6.929 1.557 1.00 0.00 C ATOM 226 CE1 TYR A 15 8.614 -6.249 3.889 1.00 0.00 C ATOM 227 CE2 TYR A 15 7.349 -5.558 1.982 1.00 0.00 C ATOM 228 CZ TYR A 15 8.030 -5.285 3.127 1.00 0.00 C ATOM 229 OH TYR A 15 8.131 -3.989 3.529 1.00 0.00 O ATOM 0 H TYR A 15 8.460 -10.564 3.990 1.00 0.00 H new ATOM 0 HA TYR A 15 5.806 -9.829 2.850 1.00 0.00 H new ATOM 0 HB2 TYR A 15 8.706 -9.831 1.832 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.328 -9.415 0.834 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.962 -8.404 4.051 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.707 -7.173 0.651 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.146 -5.991 4.793 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.899 -4.764 1.405 1.00 0.00 H new ATOM 0 HH TYR A 15 7.668 -3.411 2.888 1.00 0.00 H new ATOM 239 N PRO A 16 5.539 -11.824 1.381 1.00 0.00 N ATOM 240 CA PRO A 16 5.273 -13.094 0.728 1.00 0.00 C ATOM 241 C PRO A 16 6.152 -13.267 -0.513 1.00 0.00 C ATOM 242 O PRO A 16 6.719 -14.337 -0.733 1.00 0.00 O ATOM 243 CB PRO A 16 3.788 -13.068 0.405 1.00 0.00 C ATOM 244 CG PRO A 16 3.374 -11.607 0.466 1.00 0.00 C ATOM 245 CD PRO A 16 4.489 -10.835 1.153 1.00 0.00 C ATOM 0 HA PRO A 16 5.514 -13.950 1.359 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.596 -13.488 -0.582 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.222 -13.665 1.121 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.201 -11.217 -0.537 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.439 -11.498 1.016 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.846 -10.015 0.529 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.148 -10.397 2.091 1.00 0.00 H new ATOM 253 N SER A 17 6.238 -12.199 -1.292 1.00 0.00 N ATOM 254 CA SER A 17 7.038 -12.218 -2.504 1.00 0.00 C ATOM 255 C SER A 17 8.501 -12.503 -2.161 1.00 0.00 C ATOM 256 O SER A 17 9.201 -13.172 -2.919 1.00 0.00 O ATOM 257 CB SER A 17 6.918 -10.895 -3.264 1.00 0.00 C ATOM 258 OG SER A 17 7.766 -9.888 -2.719 1.00 0.00 O ATOM 0 H SER A 17 5.766 -11.314 -1.107 1.00 0.00 H new ATOM 0 HA SER A 17 6.662 -13.012 -3.150 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.172 -11.055 -4.312 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.884 -10.553 -3.235 1.00 0.00 H new ATOM 0 HG SER A 17 7.662 -9.060 -3.232 1.00 0.00 H new ATOM 264 N LYS A 18 8.920 -11.980 -1.018 1.00 0.00 N ATOM 265 CA LYS A 18 10.288 -12.170 -0.565 1.00 0.00 C ATOM 266 C LYS A 18 10.281 -12.962 0.744 1.00 0.00 C ATOM 267 O LYS A 18 10.859 -12.527 1.740 1.00 0.00 O ATOM 268 CB LYS A 18 11.012 -10.826 -0.467 1.00 0.00 C ATOM 269 CG LYS A 18 12.464 -10.951 -0.930 1.00 0.00 C ATOM 270 CD LYS A 18 13.123 -9.575 -1.048 1.00 0.00 C ATOM 271 CE LYS A 18 13.440 -8.998 0.333 1.00 0.00 C ATOM 272 NZ LYS A 18 13.374 -7.520 0.305 1.00 0.00 N ATOM 0 H LYS A 18 8.337 -11.425 -0.392 1.00 0.00 H new ATOM 0 HA LYS A 18 10.852 -12.757 -1.290 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.495 -10.085 -1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.984 -10.468 0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.023 -11.566 -0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.500 -11.459 -1.894 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.040 -9.656 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.462 -8.896 -1.587 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.733 -9.386 1.067 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.433 -9.318 0.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.592 -7.145 1.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.066 -7.155 -0.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.418 -7.220 0.025 1.00 0.00 H new ATOM 597 N CYS A 40 0.062 -8.019 -14.405 1.00 0.00 N ATOM 598 CA CYS A 40 -0.560 -7.724 -13.125 1.00 0.00 C ATOM 599 C CYS A 40 -1.922 -7.079 -13.391 1.00 0.00 C ATOM 600 O CYS A 40 -2.064 -6.284 -14.318 1.00 0.00 O ATOM 601 CB CYS A 40 0.331 -6.840 -12.252 1.00 0.00 C ATOM 602 SG CYS A 40 0.849 -5.356 -13.188 1.00 0.00 S ATOM 0 HA CYS A 40 -0.700 -8.648 -12.564 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.207 -6.543 -11.352 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.208 -7.400 -11.928 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.056 -5.064 -14.074 1.00 0.00 H new ATOM 608 N VAL A 41 -2.887 -7.444 -12.560 1.00 0.00 N ATOM 609 CA VAL A 41 -4.231 -6.910 -12.693 1.00 0.00 C ATOM 610 C VAL A 41 -4.368 -5.660 -11.821 1.00 0.00 C ATOM 611 O VAL A 41 -3.676 -5.524 -10.813 1.00 0.00 O ATOM 612 CB VAL A 41 -5.260 -7.991 -12.354 1.00 0.00 C ATOM 613 CG1 VAL A 41 -5.420 -8.978 -13.512 1.00 0.00 C ATOM 614 CG2 VAL A 41 -4.884 -8.718 -11.061 1.00 0.00 C ATOM 0 H VAL A 41 -2.764 -8.104 -11.792 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.422 -6.610 -13.723 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.221 -7.502 -12.196 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.157 -9.736 -13.245 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.754 -8.444 -14.402 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.463 -9.458 -13.716 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.631 -9.481 -10.842 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.908 -9.189 -11.179 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.845 -8.003 -10.240 1.00 0.00 H new ATOM 624 N THR A 42 -5.265 -4.780 -12.241 1.00 0.00 N ATOM 625 CA THR A 42 -5.501 -3.546 -11.510 1.00 0.00 C ATOM 626 C THR A 42 -6.881 -3.573 -10.849 1.00 0.00 C ATOM 627 O THR A 42 -7.850 -4.035 -11.449 1.00 0.00 O ATOM 628 CB THR A 42 -5.315 -2.379 -12.482 1.00 0.00 C ATOM 629 OG1 THR A 42 -3.929 -2.419 -12.812 1.00 0.00 O ATOM 630 CG2 THR A 42 -5.498 -1.019 -11.805 1.00 0.00 C ATOM 0 H THR A 42 -5.837 -4.897 -13.078 1.00 0.00 H new ATOM 0 HA THR A 42 -4.788 -3.426 -10.695 1.00 0.00 H new ATOM 0 HB THR A 42 -6.025 -2.474 -13.304 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.721 -1.696 -13.440 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.355 -0.225 -12.538 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.503 -0.952 -11.389 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.766 -0.909 -11.005 1.00 0.00 H new ATOM 638 N MET A 43 -6.924 -3.072 -9.624 1.00 0.00 N ATOM 639 CA MET A 43 -8.169 -3.033 -8.876 1.00 0.00 C ATOM 640 C MET A 43 -8.917 -1.721 -9.123 1.00 0.00 C ATOM 641 O MET A 43 -9.949 -1.706 -9.792 1.00 0.00 O ATOM 642 CB MET A 43 -7.872 -3.177 -7.381 1.00 0.00 C ATOM 643 CG MET A 43 -8.626 -4.366 -6.784 1.00 0.00 C ATOM 644 SD MET A 43 -9.987 -3.787 -5.785 1.00 0.00 S ATOM 645 CE MET A 43 -9.095 -2.815 -4.582 1.00 0.00 C ATOM 0 H MET A 43 -6.117 -2.690 -9.131 1.00 0.00 H new ATOM 0 HA MET A 43 -8.798 -3.857 -9.212 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.801 -3.309 -7.231 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.157 -2.263 -6.860 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.998 -5.009 -7.582 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.950 -4.969 -6.178 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.264 -3.224 -3.586 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.029 -2.843 -4.810 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.446 -1.784 -4.615 1.00 0.00 H new ATOM 655 N SER A 44 -8.366 -0.650 -8.569 1.00 0.00 N ATOM 656 CA SER A 44 -8.969 0.664 -8.722 1.00 0.00 C ATOM 657 C SER A 44 -7.881 1.740 -8.731 1.00 0.00 C ATOM 658 O SER A 44 -6.725 1.462 -8.416 1.00 0.00 O ATOM 659 CB SER A 44 -9.978 0.940 -7.606 1.00 0.00 C ATOM 660 OG SER A 44 -10.830 2.039 -7.917 1.00 0.00 O ATOM 0 H SER A 44 -7.510 -0.665 -8.014 1.00 0.00 H new ATOM 0 HA SER A 44 -9.503 0.687 -9.672 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.583 0.049 -7.435 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.445 1.146 -6.678 1.00 0.00 H new ATOM 0 HG SER A 44 -11.691 1.703 -8.243 1.00 0.00 H new ATOM 666 N SER A 45 -8.290 2.947 -9.095 1.00 0.00 N ATOM 667 CA SER A 45 -7.365 4.065 -9.149 1.00 0.00 C ATOM 668 C SER A 45 -7.999 5.301 -8.508 1.00 0.00 C ATOM 669 O SER A 45 -9.055 5.758 -8.944 1.00 0.00 O ATOM 670 CB SER A 45 -6.950 4.369 -10.590 1.00 0.00 C ATOM 671 OG SER A 45 -7.959 5.087 -11.296 1.00 0.00 O ATOM 0 H SER A 45 -9.250 3.174 -9.355 1.00 0.00 H new ATOM 0 HA SER A 45 -6.469 3.793 -8.591 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.027 4.949 -10.587 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.738 3.435 -11.111 1.00 0.00 H new ATOM 0 HG SER A 45 -8.704 5.285 -10.691 1.00 0.00 H new ATOM 677 N ALA A 46 -7.329 5.806 -7.483 1.00 0.00 N ATOM 678 CA ALA A 46 -7.814 6.981 -6.778 1.00 0.00 C ATOM 679 C ALA A 46 -6.628 7.869 -6.398 1.00 0.00 C ATOM 680 O ALA A 46 -5.663 7.399 -5.797 1.00 0.00 O ATOM 681 CB ALA A 46 -8.630 6.543 -5.558 1.00 0.00 C ATOM 0 H ALA A 46 -6.454 5.423 -7.124 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.473 7.568 -7.418 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.994 7.423 -5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.477 5.940 -5.884 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.000 5.954 -4.892 1.00 0.00 H new ATOM 687 N VAL A 47 -6.739 9.137 -6.764 1.00 0.00 N ATOM 688 CA VAL A 47 -5.687 10.096 -6.470 1.00 0.00 C ATOM 689 C VAL A 47 -5.574 10.273 -4.954 1.00 0.00 C ATOM 690 O VAL A 47 -6.534 10.680 -4.301 1.00 0.00 O ATOM 691 CB VAL A 47 -5.955 11.410 -7.207 1.00 0.00 C ATOM 692 CG1 VAL A 47 -4.950 12.487 -6.792 1.00 0.00 C ATOM 693 CG2 VAL A 47 -5.938 11.201 -8.723 1.00 0.00 C ATOM 0 H VAL A 47 -7.541 9.523 -7.262 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.725 9.729 -6.828 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.950 11.754 -6.926 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.163 13.410 -7.331 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.030 12.666 -5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.940 12.153 -7.030 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.131 12.150 -9.223 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.962 10.822 -9.027 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.709 10.482 -9.000 1.00 0.00 H new ATOM 703 N VAL A 48 -4.394 9.958 -4.441 1.00 0.00 N ATOM 704 CA VAL A 48 -4.144 10.077 -3.014 1.00 0.00 C ATOM 705 C VAL A 48 -2.866 10.888 -2.791 1.00 0.00 C ATOM 706 O VAL A 48 -2.085 11.092 -3.720 1.00 0.00 O ATOM 707 CB VAL A 48 -4.091 8.688 -2.374 1.00 0.00 C ATOM 708 CG1 VAL A 48 -5.013 7.711 -3.107 1.00 0.00 C ATOM 709 CG2 VAL A 48 -2.656 8.161 -2.330 1.00 0.00 C ATOM 0 H VAL A 48 -3.601 9.621 -4.987 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.958 10.613 -2.527 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.447 8.777 -1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.956 6.732 -2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.039 8.077 -3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.701 7.628 -4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.645 7.173 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.262 8.094 -3.344 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.037 8.840 -1.744 1.00 0.00 H new ATOM 719 N GLN A 49 -2.690 11.329 -1.554 1.00 0.00 N ATOM 720 CA GLN A 49 -1.521 12.113 -1.197 1.00 0.00 C ATOM 721 C GLN A 49 -0.682 11.370 -0.154 1.00 0.00 C ATOM 722 O GLN A 49 -1.169 11.057 0.930 1.00 0.00 O ATOM 723 CB GLN A 49 -1.923 13.499 -0.691 1.00 0.00 C ATOM 724 CG GLN A 49 -2.865 14.191 -1.677 1.00 0.00 C ATOM 725 CD GLN A 49 -3.214 15.604 -1.204 1.00 0.00 C ATOM 726 OE1 GLN A 49 -3.120 15.934 -0.033 1.00 0.00 O ATOM 727 NE2 GLN A 49 -3.621 16.415 -2.176 1.00 0.00 N ATOM 0 H GLN A 49 -3.339 11.158 -0.786 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.914 12.252 -2.092 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.410 13.408 0.280 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.032 14.109 -0.545 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.397 14.238 -2.660 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.777 13.605 -1.786 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.676 16.073 -3.135 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.878 17.379 -1.962 1.00 0.00 H new ATOM 736 N LEU A 50 0.564 11.110 -0.521 1.00 0.00 N ATOM 737 CA LEU A 50 1.475 10.410 0.369 1.00 0.00 C ATOM 738 C LEU A 50 2.058 11.401 1.378 1.00 0.00 C ATOM 739 O LEU A 50 2.674 12.395 0.993 1.00 0.00 O ATOM 740 CB LEU A 50 2.536 9.657 -0.435 1.00 0.00 C ATOM 741 CG LEU A 50 3.237 8.507 0.292 1.00 0.00 C ATOM 742 CD1 LEU A 50 3.854 8.984 1.607 1.00 0.00 C ATOM 743 CD2 LEU A 50 2.284 7.327 0.500 1.00 0.00 C ATOM 0 H LEU A 50 0.964 11.371 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 50 0.941 9.650 0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.067 9.260 -1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.293 10.371 -0.759 1.00 0.00 H new ATOM 0 HG LEU A 50 4.054 8.154 -0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.346 8.147 2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.586 9.766 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.071 9.380 2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.807 6.524 1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.431 7.649 1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.934 6.967 -0.468 1.00 0.00 H new ATOM 755 N TYR A 51 1.842 11.097 2.650 1.00 0.00 N ATOM 756 CA TYR A 51 2.338 11.950 3.717 1.00 0.00 C ATOM 757 C TYR A 51 2.913 11.115 4.863 1.00 0.00 C ATOM 758 O TYR A 51 2.492 9.980 5.081 1.00 0.00 O ATOM 759 CB TYR A 51 1.127 12.732 4.229 1.00 0.00 C ATOM 760 CG TYR A 51 0.921 14.082 3.541 1.00 0.00 C ATOM 761 CD1 TYR A 51 0.479 14.130 2.234 1.00 0.00 C ATOM 762 CD2 TYR A 51 1.178 15.253 4.226 1.00 0.00 C ATOM 763 CE1 TYR A 51 0.286 15.401 1.585 1.00 0.00 C ATOM 764 CE2 TYR A 51 0.985 16.524 3.577 1.00 0.00 C ATOM 765 CZ TYR A 51 0.547 16.536 2.289 1.00 0.00 C ATOM 766 OH TYR A 51 0.365 17.736 1.677 1.00 0.00 O ATOM 0 H TYR A 51 1.331 10.273 2.965 1.00 0.00 H new ATOM 0 HA TYR A 51 3.132 12.601 3.351 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.232 12.126 4.092 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.240 12.896 5.301 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.278 13.214 1.698 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.524 15.216 5.248 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.058 15.452 0.563 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.184 17.447 4.101 1.00 0.00 H new ATOM 0 HH TYR A 51 0.589 18.458 2.300 1.00 0.00 H new ATOM 776 N ALA A 52 3.867 11.709 5.565 1.00 0.00 N ATOM 777 CA ALA A 52 4.504 11.034 6.683 1.00 0.00 C ATOM 778 C ALA A 52 4.406 11.917 7.929 1.00 0.00 C ATOM 779 O ALA A 52 4.640 13.122 7.860 1.00 0.00 O ATOM 780 CB ALA A 52 5.951 10.698 6.319 1.00 0.00 C ATOM 0 H ALA A 52 4.214 12.650 5.381 1.00 0.00 H new ATOM 0 HA ALA A 52 3.997 10.095 6.904 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.429 10.192 7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.964 10.046 5.446 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.492 11.617 6.094 1.00 0.00 H new ATOM 786 N ALA A 53 4.059 11.282 9.039 1.00 0.00 N ATOM 787 CA ALA A 53 3.927 11.994 10.298 1.00 0.00 C ATOM 788 C ALA A 53 5.310 12.445 10.772 1.00 0.00 C ATOM 789 O ALA A 53 5.984 11.723 11.506 1.00 0.00 O ATOM 790 CB ALA A 53 3.223 11.100 11.320 1.00 0.00 C ATOM 0 H ALA A 53 3.865 10.282 9.092 1.00 0.00 H new ATOM 0 HA ALA A 53 3.315 12.887 10.171 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.124 11.635 12.265 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.233 10.833 10.949 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.809 10.194 11.476 1.00 0.00 H new ATOM 796 N ASP A 54 5.694 13.634 10.334 1.00 0.00 N ATOM 797 CA ASP A 54 6.984 14.188 10.704 1.00 0.00 C ATOM 798 C ASP A 54 7.281 13.849 12.165 1.00 0.00 C ATOM 799 O ASP A 54 6.367 13.777 12.987 1.00 0.00 O ATOM 800 CB ASP A 54 6.991 15.712 10.562 1.00 0.00 C ATOM 801 CG ASP A 54 8.367 16.368 10.698 1.00 0.00 C ATOM 802 OD1 ASP A 54 9.316 15.631 11.041 1.00 0.00 O ATOM 803 OD2 ASP A 54 8.438 17.592 10.456 1.00 0.00 O ATOM 0 H ASP A 54 5.133 14.230 9.725 1.00 0.00 H new ATOM 0 HA ASP A 54 7.736 13.760 10.041 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.575 15.973 9.589 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.327 16.135 11.316 1.00 0.00 H new ATOM 808 N ARG A 55 8.559 13.648 12.446 1.00 0.00 N ATOM 809 CA ARG A 55 8.987 13.318 13.795 1.00 0.00 C ATOM 810 C ARG A 55 8.503 14.383 14.781 1.00 0.00 C ATOM 811 O ARG A 55 8.455 14.143 15.986 1.00 0.00 O ATOM 812 CB ARG A 55 10.511 13.211 13.879 1.00 0.00 C ATOM 813 CG ARG A 55 11.176 14.539 13.510 1.00 0.00 C ATOM 814 CD ARG A 55 12.585 14.312 12.960 1.00 0.00 C ATOM 815 NE ARG A 55 12.513 13.874 11.548 1.00 0.00 N ATOM 816 CZ ARG A 55 12.548 12.593 11.156 1.00 0.00 C ATOM 817 NH1 ARG A 55 12.656 11.616 12.068 1.00 0.00 N ATOM 818 NH2 ARG A 55 12.477 12.288 9.853 1.00 0.00 N ATOM 0 H ARG A 55 9.313 13.707 11.762 1.00 0.00 H new ATOM 0 HA ARG A 55 8.551 12.353 14.054 1.00 0.00 H new ATOM 0 HB2 ARG A 55 10.804 12.922 14.888 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.861 12.426 13.209 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.571 15.059 12.767 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.224 15.182 14.389 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.166 15.231 13.035 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.100 13.560 13.557 1.00 0.00 H new ATOM 0 HE ARG A 55 12.432 14.592 10.828 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.711 11.848 13.060 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.683 10.641 11.770 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.396 13.031 9.159 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.504 11.313 9.555 1.00 0.00 H new ATOM 832 N ASN A 56 8.156 15.538 14.232 1.00 0.00 N ATOM 833 CA ASN A 56 7.678 16.641 15.049 1.00 0.00 C ATOM 834 C ASN A 56 6.147 16.657 15.029 1.00 0.00 C ATOM 835 O ASN A 56 5.533 17.718 15.130 1.00 0.00 O ATOM 836 CB ASN A 56 8.171 17.983 14.506 1.00 0.00 C ATOM 837 CG ASN A 56 9.500 18.380 15.152 1.00 0.00 C ATOM 838 OD1 ASN A 56 10.573 18.022 14.695 1.00 0.00 O ATOM 839 ND2 ASN A 56 9.369 19.138 16.236 1.00 0.00 N ATOM 0 H ASN A 56 8.196 15.734 13.232 1.00 0.00 H new ATOM 0 HA ASN A 56 8.057 16.501 16.061 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.293 17.919 13.425 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.424 18.754 14.698 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.197 19.456 16.739 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.440 19.402 16.565 1.00 0.00 H new ATOM 846 N CYS A 57 5.576 15.468 14.901 1.00 0.00 N ATOM 847 CA CYS A 57 4.130 15.333 14.867 1.00 0.00 C ATOM 848 C CYS A 57 3.576 16.340 13.858 1.00 0.00 C ATOM 849 O CYS A 57 3.237 17.465 14.222 1.00 0.00 O ATOM 850 CB CYS A 57 3.513 15.516 16.255 1.00 0.00 C ATOM 851 SG CYS A 57 1.748 15.979 16.098 1.00 0.00 S ATOM 0 H CYS A 57 6.089 14.590 14.820 1.00 0.00 H new ATOM 0 HA CYS A 57 3.864 14.324 14.553 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.606 14.594 16.828 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.053 16.288 16.803 1.00 0.00 H new ATOM 0 HG CYS A 57 1.635 16.991 15.290 1.00 0.00 H new ATOM 857 N MET A 58 3.502 15.901 12.610 1.00 0.00 N ATOM 858 CA MET A 58 2.996 16.751 11.547 1.00 0.00 C ATOM 859 C MET A 58 3.234 16.115 10.176 1.00 0.00 C ATOM 860 O MET A 58 4.365 16.075 9.695 1.00 0.00 O ATOM 861 CB MET A 58 3.691 18.113 11.606 1.00 0.00 C ATOM 862 CG MET A 58 2.681 19.235 11.855 1.00 0.00 C ATOM 863 SD MET A 58 3.377 20.803 11.366 1.00 0.00 S ATOM 864 CE MET A 58 2.790 20.893 9.683 1.00 0.00 C ATOM 0 H MET A 58 3.784 14.967 12.312 1.00 0.00 H new ATOM 0 HA MET A 58 1.922 16.875 11.688 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.439 18.109 12.399 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.220 18.296 10.671 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.766 19.043 11.294 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.408 19.262 12.910 1.00 0.00 H new ATOM 0 HE1 MET A 58 3.137 21.819 9.226 1.00 0.00 H new ATOM 0 HE2 MET A 58 3.173 20.043 9.118 1.00 0.00 H new ATOM 0 HE3 MET A 58 1.700 20.871 9.676 1.00 0.00 H new ATOM 874 N TRP A 59 2.149 15.634 9.586 1.00 0.00 N ATOM 875 CA TRP A 59 2.226 15.001 8.280 1.00 0.00 C ATOM 876 C TRP A 59 3.191 15.816 7.416 1.00 0.00 C ATOM 877 O TRP A 59 3.277 17.034 7.556 1.00 0.00 O ATOM 878 CB TRP A 59 0.837 14.862 7.655 1.00 0.00 C ATOM 879 CG TRP A 59 -0.247 14.416 8.640 1.00 0.00 C ATOM 880 CD1 TRP A 59 -1.192 15.167 9.222 1.00 0.00 C ATOM 881 CD2 TRP A 59 -0.459 13.078 9.136 1.00 0.00 C ATOM 882 NE1 TRP A 59 -1.994 14.414 10.054 1.00 0.00 N ATOM 883 CE2 TRP A 59 -1.534 13.103 10.000 1.00 0.00 C ATOM 884 CE3 TRP A 59 0.235 11.886 8.863 1.00 0.00 C ATOM 885 CZ2 TRP A 59 -2.012 11.965 10.662 1.00 0.00 C ATOM 886 CZ3 TRP A 59 -0.254 10.758 9.533 1.00 0.00 C ATOM 887 CH2 TRP A 59 -1.336 10.767 10.406 1.00 0.00 C ATOM 0 H TRP A 59 1.212 15.670 9.988 1.00 0.00 H new ATOM 0 HA TRP A 59 2.609 13.984 8.366 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.548 15.819 7.221 1.00 0.00 H new ATOM 0 HB3 TRP A 59 0.888 14.143 6.837 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -1.311 16.228 9.060 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.780 14.756 10.607 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.078 11.844 8.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.857 12.010 11.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 0.244 9.815 9.360 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.654 9.853 10.885 1.00 0.00 H new ATOM 898 N SER A 60 3.894 15.109 6.543 1.00 0.00 N ATOM 899 CA SER A 60 4.849 15.751 5.657 1.00 0.00 C ATOM 900 C SER A 60 4.648 15.257 4.223 1.00 0.00 C ATOM 901 O SER A 60 4.779 14.064 3.950 1.00 0.00 O ATOM 902 CB SER A 60 6.286 15.488 6.112 1.00 0.00 C ATOM 903 OG SER A 60 6.764 16.505 6.988 1.00 0.00 O ATOM 0 H SER A 60 3.821 14.098 6.431 1.00 0.00 H new ATOM 0 HA SER A 60 4.677 16.827 5.691 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.336 14.523 6.616 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.937 15.426 5.240 1.00 0.00 H new ATOM 0 HG SER A 60 7.684 16.299 7.257 1.00 0.00 H new ATOM 909 N LYS A 61 4.332 16.198 3.345 1.00 0.00 N ATOM 910 CA LYS A 61 4.111 15.874 1.947 1.00 0.00 C ATOM 911 C LYS A 61 5.412 15.346 1.338 1.00 0.00 C ATOM 912 O LYS A 61 6.463 15.968 1.476 1.00 0.00 O ATOM 913 CB LYS A 61 3.527 17.076 1.203 1.00 0.00 C ATOM 914 CG LYS A 61 4.582 18.168 1.014 1.00 0.00 C ATOM 915 CD LYS A 61 5.056 18.228 -0.439 1.00 0.00 C ATOM 916 CE LYS A 61 5.547 19.631 -0.799 1.00 0.00 C ATOM 917 NZ LYS A 61 7.001 19.750 -0.554 1.00 0.00 N ATOM 0 H LYS A 61 4.224 17.186 3.576 1.00 0.00 H new ATOM 0 HA LYS A 61 3.370 15.081 1.853 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.149 16.758 0.231 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.680 17.476 1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.167 19.133 1.305 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.431 17.975 1.669 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.859 17.507 -0.593 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.240 17.943 -1.103 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.330 19.841 -1.846 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.011 20.373 -0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.318 20.709 -0.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.200 19.570 0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.509 19.055 -1.137 1.00 0.00 H new ATOM 931 N LYS A 62 5.297 14.203 0.677 1.00 0.00 N ATOM 932 CA LYS A 62 6.451 13.585 0.047 1.00 0.00 C ATOM 933 C LYS A 62 6.318 13.696 -1.473 1.00 0.00 C ATOM 934 O LYS A 62 7.291 13.989 -2.166 1.00 0.00 O ATOM 935 CB LYS A 62 6.630 12.149 0.545 1.00 0.00 C ATOM 936 CG LYS A 62 8.107 11.831 0.782 1.00 0.00 C ATOM 937 CD LYS A 62 8.785 11.381 -0.514 1.00 0.00 C ATOM 938 CE LYS A 62 10.151 12.051 -0.678 1.00 0.00 C ATOM 939 NZ LYS A 62 11.041 11.214 -1.512 1.00 0.00 N ATOM 0 H LYS A 62 4.423 13.689 0.564 1.00 0.00 H new ATOM 0 HA LYS A 62 7.364 14.111 0.327 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.071 12.009 1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.217 11.453 -0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.614 12.712 1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.198 11.048 1.535 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.905 10.298 -0.509 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.150 11.627 -1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.029 13.032 -1.137 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.604 12.211 0.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.964 11.683 -1.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.172 10.287 -1.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.614 11.083 -2.451 1.00 0.00 H new ATOM 953 N CYS A 63 5.104 13.457 -1.947 1.00 0.00 N ATOM 954 CA CYS A 63 4.830 13.527 -3.373 1.00 0.00 C ATOM 955 C CYS A 63 3.538 12.757 -3.652 1.00 0.00 C ATOM 956 O CYS A 63 3.513 11.530 -3.574 1.00 0.00 O ATOM 957 CB CYS A 63 6.002 12.995 -4.201 1.00 0.00 C ATOM 958 SG CYS A 63 6.950 14.390 -4.912 1.00 0.00 S ATOM 0 H CYS A 63 4.299 13.215 -1.369 1.00 0.00 H new ATOM 0 HA CYS A 63 4.703 14.568 -3.671 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.652 12.384 -3.575 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.632 12.352 -4.999 1.00 0.00 H new ATOM 0 HG CYS A 63 7.687 14.930 -3.987 1.00 0.00 H new ATOM 964 N SER A 64 2.495 13.510 -3.972 1.00 0.00 N ATOM 965 CA SER A 64 1.203 12.914 -4.263 1.00 0.00 C ATOM 966 C SER A 64 1.042 12.726 -5.773 1.00 0.00 C ATOM 967 O SER A 64 1.896 13.150 -6.550 1.00 0.00 O ATOM 968 CB SER A 64 0.063 13.772 -3.710 1.00 0.00 C ATOM 969 OG SER A 64 0.239 14.065 -2.327 1.00 0.00 O ATOM 0 H SER A 64 2.519 14.528 -4.036 1.00 0.00 H new ATOM 0 HA SER A 64 1.158 11.940 -3.775 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.004 14.703 -4.273 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.884 13.252 -3.853 1.00 0.00 H new ATOM 0 HG SER A 64 -0.022 14.994 -2.154 1.00 0.00 H new ATOM 975 N GLY A 65 -0.061 12.090 -6.144 1.00 0.00 N ATOM 976 CA GLY A 65 -0.345 11.842 -7.547 1.00 0.00 C ATOM 977 C GLY A 65 -1.463 10.809 -7.705 1.00 0.00 C ATOM 978 O GLY A 65 -2.315 10.672 -6.828 1.00 0.00 O ATOM 0 H GLY A 65 -0.768 11.740 -5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.634 12.774 -8.034 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.556 11.487 -8.047 1.00 0.00 H new ATOM 982 N VAL A 66 -1.424 10.109 -8.829 1.00 0.00 N ATOM 983 CA VAL A 66 -2.422 9.093 -9.114 1.00 0.00 C ATOM 984 C VAL A 66 -1.957 7.752 -8.542 1.00 0.00 C ATOM 985 O VAL A 66 -0.870 7.278 -8.870 1.00 0.00 O ATOM 986 CB VAL A 66 -2.700 9.038 -10.617 1.00 0.00 C ATOM 987 CG1 VAL A 66 -3.880 8.113 -10.923 1.00 0.00 C ATOM 988 CG2 VAL A 66 -2.941 10.440 -11.180 1.00 0.00 C ATOM 0 H VAL A 66 -0.716 10.226 -9.554 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.367 9.342 -8.632 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.817 8.627 -11.107 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.056 8.092 -11.998 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.653 7.106 -10.573 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.772 8.481 -10.416 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.136 10.374 -12.250 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.800 10.890 -10.682 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.059 11.057 -11.010 1.00 0.00 H new ATOM 998 N ALA A 67 -2.801 7.179 -7.698 1.00 0.00 N ATOM 999 CA ALA A 67 -2.490 5.901 -7.079 1.00 0.00 C ATOM 1000 C ALA A 67 -3.501 4.853 -7.545 1.00 0.00 C ATOM 1001 O ALA A 67 -4.667 5.169 -7.772 1.00 0.00 O ATOM 1002 CB ALA A 67 -2.476 6.062 -5.557 1.00 0.00 C ATOM 0 H ALA A 67 -3.701 7.576 -7.428 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.500 5.559 -7.381 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.243 5.104 -5.092 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.720 6.795 -5.276 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.455 6.401 -5.218 1.00 0.00 H new ATOM 1008 N CYS A 68 -3.017 3.626 -7.675 1.00 0.00 N ATOM 1009 CA CYS A 68 -3.864 2.529 -8.111 1.00 0.00 C ATOM 1010 C CYS A 68 -3.441 1.268 -7.356 1.00 0.00 C ATOM 1011 O CYS A 68 -2.273 1.114 -7.001 1.00 0.00 O ATOM 1012 CB CYS A 68 -3.802 2.335 -9.627 1.00 0.00 C ATOM 1013 SG CYS A 68 -2.099 1.895 -10.134 1.00 0.00 S ATOM 0 H CYS A 68 -2.049 3.368 -7.486 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.905 2.756 -7.883 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.495 1.550 -9.930 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.116 3.249 -10.132 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.437 2.978 -10.416 1.00 0.00 H new ATOM 1019 N LEU A 69 -4.414 0.396 -7.133 1.00 0.00 N ATOM 1020 CA LEU A 69 -4.157 -0.848 -6.427 1.00 0.00 C ATOM 1021 C LEU A 69 -3.886 -1.959 -7.443 1.00 0.00 C ATOM 1022 O LEU A 69 -4.797 -2.405 -8.139 1.00 0.00 O ATOM 1023 CB LEU A 69 -5.303 -1.162 -5.463 1.00 0.00 C ATOM 1024 CG LEU A 69 -4.900 -1.770 -4.118 1.00 0.00 C ATOM 1025 CD1 LEU A 69 -5.551 -1.015 -2.958 1.00 0.00 C ATOM 1026 CD2 LEU A 69 -5.214 -3.267 -4.077 1.00 0.00 C ATOM 0 H LEU A 69 -5.381 0.527 -7.429 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.265 -0.758 -5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.854 -0.241 -5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.990 -1.848 -5.958 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.821 -1.665 -4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.248 -1.467 -2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.234 0.028 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.636 -1.066 -3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.918 -3.675 -3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.284 -3.419 -4.222 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.665 -3.776 -4.869 1.00 0.00 H new ATOM 1038 N VAL A 70 -2.629 -2.374 -7.497 1.00 0.00 N ATOM 1039 CA VAL A 70 -2.226 -3.425 -8.415 1.00 0.00 C ATOM 1040 C VAL A 70 -1.924 -4.700 -7.625 1.00 0.00 C ATOM 1041 O VAL A 70 -1.310 -4.644 -6.561 1.00 0.00 O ATOM 1042 CB VAL A 70 -1.044 -2.953 -9.264 1.00 0.00 C ATOM 1043 CG1 VAL A 70 -0.428 -4.117 -10.043 1.00 0.00 C ATOM 1044 CG2 VAL A 70 -1.462 -1.823 -10.207 1.00 0.00 C ATOM 0 H VAL A 70 -1.876 -2.001 -6.919 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.035 -3.657 -9.108 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.283 -2.562 -8.589 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.410 -3.754 -10.638 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.075 -4.876 -9.345 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.179 -4.552 -10.702 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.603 -1.506 -10.799 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.250 -2.177 -10.872 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.831 -0.980 -9.623 1.00 0.00 H new ATOM 1054 N LYS A 71 -2.368 -5.819 -8.177 1.00 0.00 N ATOM 1055 CA LYS A 71 -2.153 -7.106 -7.536 1.00 0.00 C ATOM 1056 C LYS A 71 -1.771 -8.141 -8.597 1.00 0.00 C ATOM 1057 O LYS A 71 -2.545 -8.408 -9.514 1.00 0.00 O ATOM 1058 CB LYS A 71 -3.373 -7.501 -6.703 1.00 0.00 C ATOM 1059 CG LYS A 71 -3.325 -8.984 -6.328 1.00 0.00 C ATOM 1060 CD LYS A 71 -4.201 -9.814 -7.269 1.00 0.00 C ATOM 1061 CE LYS A 71 -5.593 -10.032 -6.672 1.00 0.00 C ATOM 1062 NZ LYS A 71 -6.520 -8.969 -7.119 1.00 0.00 N ATOM 0 H LYS A 71 -2.876 -5.862 -9.061 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.322 -7.047 -6.833 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.412 -6.895 -5.798 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.284 -7.294 -7.265 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.296 -9.341 -6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.663 -9.114 -5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.289 -9.308 -8.231 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.727 -10.777 -7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.976 -11.007 -6.973 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.532 -10.036 -5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.488 -9.203 -6.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.237 -8.061 -6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.488 -8.894 -8.156 1.00 0.00 H new ATOM 1076 N ASP A 72 -0.579 -8.695 -8.435 1.00 0.00 N ATOM 1077 CA ASP A 72 -0.086 -9.694 -9.367 1.00 0.00 C ATOM 1078 C ASP A 72 -0.533 -11.083 -8.903 1.00 0.00 C ATOM 1079 O ASP A 72 0.077 -11.668 -8.010 1.00 0.00 O ATOM 1080 CB ASP A 72 1.443 -9.686 -9.427 1.00 0.00 C ATOM 1081 CG ASP A 72 2.144 -9.775 -8.069 1.00 0.00 C ATOM 1082 OD1 ASP A 72 1.910 -8.861 -7.249 1.00 0.00 O ATOM 1083 OD2 ASP A 72 2.897 -10.755 -7.882 1.00 0.00 O ATOM 0 H ASP A 72 0.060 -8.471 -7.672 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.487 -9.461 -10.353 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.772 -10.522 -10.044 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.767 -8.774 -9.927 1.00 0.00 H new ATOM 1157 N SER A 77 0.773 -12.000 -4.520 1.00 0.00 N ATOM 1158 CA SER A 77 0.473 -10.979 -3.531 1.00 0.00 C ATOM 1159 C SER A 77 0.031 -9.691 -4.228 1.00 0.00 C ATOM 1160 O SER A 77 -0.064 -9.644 -5.453 1.00 0.00 O ATOM 1161 CB SER A 77 1.682 -10.709 -2.633 1.00 0.00 C ATOM 1162 OG SER A 77 1.552 -9.484 -1.917 1.00 0.00 O ATOM 0 HA SER A 77 -0.339 -11.341 -2.901 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.800 -11.531 -1.927 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.586 -10.679 -3.241 1.00 0.00 H new ATOM 0 HG SER A 77 2.413 -9.249 -1.512 1.00 0.00 H new ATOM 1168 N TYR A 78 -0.229 -8.676 -3.417 1.00 0.00 N ATOM 1169 CA TYR A 78 -0.660 -7.391 -3.939 1.00 0.00 C ATOM 1170 C TYR A 78 0.486 -6.377 -3.914 1.00 0.00 C ATOM 1171 O TYR A 78 1.535 -6.635 -3.326 1.00 0.00 O ATOM 1172 CB TYR A 78 -1.773 -6.908 -3.007 1.00 0.00 C ATOM 1173 CG TYR A 78 -3.003 -7.817 -2.984 1.00 0.00 C ATOM 1174 CD1 TYR A 78 -2.929 -9.063 -2.397 1.00 0.00 C ATOM 1175 CD2 TYR A 78 -4.188 -7.390 -3.549 1.00 0.00 C ATOM 1176 CE1 TYR A 78 -4.086 -9.919 -2.375 1.00 0.00 C ATOM 1177 CE2 TYR A 78 -5.345 -8.246 -3.527 1.00 0.00 C ATOM 1178 CZ TYR A 78 -5.238 -9.468 -2.941 1.00 0.00 C ATOM 1179 OH TYR A 78 -6.332 -10.277 -2.920 1.00 0.00 O ATOM 0 H TYR A 78 -0.149 -8.718 -2.401 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.994 -7.489 -4.972 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.376 -6.826 -1.995 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.079 -5.907 -3.311 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.002 -9.397 -1.954 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.247 -6.414 -4.007 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.041 -10.897 -1.919 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.278 -7.925 -3.966 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.082 -9.824 -3.359 1.00 0.00 H new ATOM 1189 N PHE A 79 0.247 -5.245 -4.561 1.00 0.00 N ATOM 1190 CA PHE A 79 1.245 -4.192 -4.619 1.00 0.00 C ATOM 1191 C PHE A 79 0.586 -2.817 -4.748 1.00 0.00 C ATOM 1192 O PHE A 79 -0.386 -2.658 -5.484 1.00 0.00 O ATOM 1193 CB PHE A 79 2.099 -4.453 -5.863 1.00 0.00 C ATOM 1194 CG PHE A 79 3.122 -5.578 -5.689 1.00 0.00 C ATOM 1195 CD1 PHE A 79 2.717 -6.876 -5.722 1.00 0.00 C ATOM 1196 CD2 PHE A 79 4.436 -5.280 -5.504 1.00 0.00 C ATOM 1197 CE1 PHE A 79 3.667 -7.920 -5.562 1.00 0.00 C ATOM 1198 CE2 PHE A 79 5.384 -6.324 -5.344 1.00 0.00 C ATOM 1199 CZ PHE A 79 4.980 -7.621 -5.376 1.00 0.00 C ATOM 0 H PHE A 79 -0.624 -5.035 -5.049 1.00 0.00 H new ATOM 0 HA PHE A 79 1.842 -4.195 -3.707 1.00 0.00 H new ATOM 0 HB2 PHE A 79 1.442 -4.699 -6.697 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.624 -3.536 -6.130 1.00 0.00 H new ATOM 0 HD1 PHE A 79 1.674 -7.113 -5.870 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.758 -4.249 -5.479 1.00 0.00 H new ATOM 0 HE1 PHE A 79 3.346 -8.951 -5.588 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.427 -6.087 -5.197 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.702 -8.415 -5.254 1.00 0.00 H new ATOM 1209 N LEU A 80 1.142 -1.859 -4.020 1.00 0.00 N ATOM 1210 CA LEU A 80 0.619 -0.503 -4.044 1.00 0.00 C ATOM 1211 C LEU A 80 1.702 0.446 -4.559 1.00 0.00 C ATOM 1212 O LEU A 80 2.811 0.475 -4.029 1.00 0.00 O ATOM 1213 CB LEU A 80 0.067 -0.118 -2.670 1.00 0.00 C ATOM 1214 CG LEU A 80 -1.371 0.404 -2.648 1.00 0.00 C ATOM 1215 CD1 LEU A 80 -2.280 -0.523 -1.840 1.00 0.00 C ATOM 1216 CD2 LEU A 80 -1.422 1.845 -2.136 1.00 0.00 C ATOM 0 H LEU A 80 1.949 -1.995 -3.411 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.223 -0.431 -4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.126 -0.990 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.716 0.645 -2.240 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.747 0.411 -3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.296 -0.128 -1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.277 -1.517 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.916 -0.586 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.455 2.193 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.019 1.886 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.828 2.484 -2.789 1.00 0.00 H new ATOM 1228 N ARG A 81 1.342 1.201 -5.587 1.00 0.00 N ATOM 1229 CA ARG A 81 2.268 2.150 -6.180 1.00 0.00 C ATOM 1230 C ARG A 81 1.563 3.479 -6.456 1.00 0.00 C ATOM 1231 O ARG A 81 0.341 3.521 -6.591 1.00 0.00 O ATOM 1232 CB ARG A 81 2.850 1.608 -7.488 1.00 0.00 C ATOM 1233 CG ARG A 81 3.495 0.236 -7.274 1.00 0.00 C ATOM 1234 CD ARG A 81 5.017 0.323 -7.390 1.00 0.00 C ATOM 1235 NE ARG A 81 5.492 -0.557 -8.481 1.00 0.00 N ATOM 1236 CZ ARG A 81 5.749 -1.864 -8.335 1.00 0.00 C ATOM 1237 NH1 ARG A 81 5.578 -2.451 -7.143 1.00 0.00 N ATOM 1238 NH2 ARG A 81 6.177 -2.584 -9.381 1.00 0.00 N ATOM 0 H ARG A 81 0.421 1.174 -6.024 1.00 0.00 H new ATOM 0 HA ARG A 81 3.081 2.307 -5.471 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.062 1.530 -8.237 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.591 2.306 -7.877 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.223 -0.149 -6.291 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.110 -0.470 -8.010 1.00 0.00 H new ATOM 0 HD2 ARG A 81 5.317 1.353 -7.585 1.00 0.00 H new ATOM 0 HD3 ARG A 81 5.479 0.030 -6.447 1.00 0.00 H new ATOM 0 HE ARG A 81 5.633 -0.142 -9.402 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.252 -1.903 -6.347 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.774 -3.446 -7.032 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.307 -2.137 -10.289 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.373 -3.579 -9.270 1.00 0.00 H new ATOM 1252 N ILE A 82 2.363 4.532 -6.533 1.00 0.00 N ATOM 1253 CA ILE A 82 1.830 5.860 -6.790 1.00 0.00 C ATOM 1254 C ILE A 82 2.617 6.507 -7.933 1.00 0.00 C ATOM 1255 O ILE A 82 3.842 6.408 -7.981 1.00 0.00 O ATOM 1256 CB ILE A 82 1.817 6.690 -5.505 1.00 0.00 C ATOM 1257 CG1 ILE A 82 0.687 6.242 -4.576 1.00 0.00 C ATOM 1258 CG2 ILE A 82 1.742 8.185 -5.820 1.00 0.00 C ATOM 1259 CD1 ILE A 82 0.918 6.744 -3.150 1.00 0.00 C ATOM 0 H ILE A 82 3.376 4.493 -6.422 1.00 0.00 H new ATOM 0 HA ILE A 82 0.791 5.798 -7.112 1.00 0.00 H new ATOM 0 HB ILE A 82 2.755 6.519 -4.977 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.266 6.619 -4.948 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.621 5.154 -4.576 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.734 8.753 -4.890 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.608 8.475 -6.415 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.830 8.394 -6.380 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.100 6.412 -2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.860 6.345 -2.772 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.959 7.833 -3.150 1.00 0.00 H new ATOM 1271 N PHE A 83 1.879 7.154 -8.823 1.00 0.00 N ATOM 1272 CA PHE A 83 2.492 7.818 -9.962 1.00 0.00 C ATOM 1273 C PHE A 83 2.149 9.308 -9.977 1.00 0.00 C ATOM 1274 O PHE A 83 1.057 9.701 -9.571 1.00 0.00 O ATOM 1275 CB PHE A 83 1.923 7.161 -11.221 1.00 0.00 C ATOM 1276 CG PHE A 83 0.627 6.383 -10.986 1.00 0.00 C ATOM 1277 CD1 PHE A 83 0.615 5.323 -10.134 1.00 0.00 C ATOM 1278 CD2 PHE A 83 -0.514 6.752 -11.628 1.00 0.00 C ATOM 1279 CE1 PHE A 83 -0.588 4.600 -9.915 1.00 0.00 C ATOM 1280 CE2 PHE A 83 -1.717 6.029 -11.411 1.00 0.00 C ATOM 1281 CZ PHE A 83 -1.729 4.969 -10.559 1.00 0.00 C ATOM 0 H PHE A 83 0.863 7.233 -8.779 1.00 0.00 H new ATOM 0 HA PHE A 83 3.577 7.724 -9.909 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.741 7.932 -11.970 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.671 6.484 -11.635 1.00 0.00 H new ATOM 0 HD1 PHE A 83 1.521 5.031 -9.624 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.505 7.595 -12.303 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.597 3.758 -9.238 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.622 6.321 -11.923 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.644 4.420 -10.393 1.00 0.00 H new ATOM 1291 N ASP A 84 3.103 10.097 -10.451 1.00 0.00 N ATOM 1292 CA ASP A 84 2.915 11.536 -10.525 1.00 0.00 C ATOM 1293 C ASP A 84 1.965 11.863 -11.679 1.00 0.00 C ATOM 1294 O ASP A 84 1.752 11.038 -12.567 1.00 0.00 O ATOM 1295 CB ASP A 84 4.241 12.251 -10.789 1.00 0.00 C ATOM 1296 CG ASP A 84 4.270 13.728 -10.388 1.00 0.00 C ATOM 1297 OD1 ASP A 84 3.233 14.393 -10.596 1.00 0.00 O ATOM 1298 OD2 ASP A 84 5.329 14.158 -9.882 1.00 0.00 O ATOM 0 H ASP A 84 4.008 9.767 -10.787 1.00 0.00 H new ATOM 0 HA ASP A 84 2.506 11.872 -9.572 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.032 11.728 -10.251 1.00 0.00 H new ATOM 0 HB3 ASP A 84 4.473 12.174 -11.851 1.00 0.00 H new ATOM 1303 N ILE A 85 1.417 13.068 -11.629 1.00 0.00 N ATOM 1304 CA ILE A 85 0.494 13.515 -12.658 1.00 0.00 C ATOM 1305 C ILE A 85 1.195 14.535 -13.558 1.00 0.00 C ATOM 1306 O ILE A 85 0.679 14.892 -14.617 1.00 0.00 O ATOM 1307 CB ILE A 85 -0.799 14.037 -12.029 1.00 0.00 C ATOM 1308 CG1 ILE A 85 -1.777 14.517 -13.103 1.00 0.00 C ATOM 1309 CG2 ILE A 85 -0.505 15.125 -10.994 1.00 0.00 C ATOM 1310 CD1 ILE A 85 -3.226 14.325 -12.651 1.00 0.00 C ATOM 0 H ILE A 85 1.595 13.749 -10.891 1.00 0.00 H new ATOM 0 HA ILE A 85 0.198 12.679 -13.292 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.279 13.212 -11.502 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.596 15.570 -13.320 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.605 13.967 -14.028 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.441 15.479 -10.562 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.127 14.716 -10.205 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.009 15.956 -11.476 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.900 14.674 -13.433 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.410 13.268 -12.459 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.401 14.896 -11.739 1.00 0.00 H new ATOM 1322 N LYS A 86 2.360 14.973 -13.106 1.00 0.00 N ATOM 1323 CA LYS A 86 3.137 15.944 -13.857 1.00 0.00 C ATOM 1324 C LYS A 86 4.403 15.272 -14.395 1.00 0.00 C ATOM 1325 O LYS A 86 4.787 15.493 -15.542 1.00 0.00 O ATOM 1326 CB LYS A 86 3.415 17.184 -13.005 1.00 0.00 C ATOM 1327 CG LYS A 86 2.471 18.328 -13.379 1.00 0.00 C ATOM 1328 CD LYS A 86 3.187 19.678 -13.296 1.00 0.00 C ATOM 1329 CE LYS A 86 3.659 20.133 -14.679 1.00 0.00 C ATOM 1330 NZ LYS A 86 4.944 20.861 -14.575 1.00 0.00 N ATOM 0 H LYS A 86 2.785 14.673 -12.229 1.00 0.00 H new ATOM 0 HA LYS A 86 2.572 16.298 -14.719 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.295 16.939 -11.950 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.449 17.501 -13.143 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.091 18.175 -14.389 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.610 18.327 -12.711 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.515 20.425 -12.873 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.041 19.600 -12.623 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.776 19.268 -15.332 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.906 20.776 -15.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.250 21.163 -15.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.821 21.697 -13.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.665 20.236 -14.161 1.00 0.00 H new ATOM 1344 N ASP A 87 5.015 14.466 -13.540 1.00 0.00 N ATOM 1345 CA ASP A 87 6.229 13.759 -13.915 1.00 0.00 C ATOM 1346 C ASP A 87 5.865 12.363 -14.425 1.00 0.00 C ATOM 1347 O ASP A 87 6.698 11.677 -15.013 1.00 0.00 O ATOM 1348 CB ASP A 87 7.164 13.596 -12.715 1.00 0.00 C ATOM 1349 CG ASP A 87 8.318 14.598 -12.654 1.00 0.00 C ATOM 1350 OD1 ASP A 87 8.690 15.102 -13.735 1.00 0.00 O ATOM 1351 OD2 ASP A 87 8.803 14.836 -11.527 1.00 0.00 O ATOM 0 H ASP A 87 4.693 14.286 -12.589 1.00 0.00 H new ATOM 0 HA ASP A 87 6.732 14.340 -14.688 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.577 13.685 -11.801 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.578 12.588 -12.731 1.00 0.00 H new ATOM 1356 N GLY A 88 4.618 11.985 -14.181 1.00 0.00 N ATOM 1357 CA GLY A 88 4.134 10.684 -14.608 1.00 0.00 C ATOM 1358 C GLY A 88 5.167 9.593 -14.320 1.00 0.00 C ATOM 1359 O GLY A 88 5.495 8.796 -15.198 1.00 0.00 O ATOM 0 H GLY A 88 3.929 12.557 -13.693 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.202 10.452 -14.093 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.912 10.707 -15.675 1.00 0.00 H new ATOM 1363 N LYS A 89 5.651 9.592 -13.087 1.00 0.00 N ATOM 1364 CA LYS A 89 6.642 8.612 -12.672 1.00 0.00 C ATOM 1365 C LYS A 89 6.292 8.102 -11.273 1.00 0.00 C ATOM 1366 O LYS A 89 5.402 8.640 -10.616 1.00 0.00 O ATOM 1367 CB LYS A 89 8.052 9.196 -12.780 1.00 0.00 C ATOM 1368 CG LYS A 89 8.568 9.120 -14.218 1.00 0.00 C ATOM 1369 CD LYS A 89 9.658 10.164 -14.466 1.00 0.00 C ATOM 1370 CE LYS A 89 10.861 9.543 -15.178 1.00 0.00 C ATOM 1371 NZ LYS A 89 10.678 9.594 -16.645 1.00 0.00 N ATOM 0 H LYS A 89 5.376 10.254 -12.361 1.00 0.00 H new ATOM 0 HA LYS A 89 6.629 7.750 -13.339 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.046 10.234 -12.446 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.726 8.652 -12.119 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.963 8.123 -14.414 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.743 9.278 -14.913 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.256 10.979 -15.068 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.976 10.596 -13.517 1.00 0.00 H new ATOM 0 HE2 LYS A 89 11.770 10.076 -14.900 1.00 0.00 H new ATOM 0 HE3 LYS A 89 10.987 8.509 -14.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.504 9.168 -17.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.821 9.066 -16.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.580 10.584 -16.948 1.00 0.00 H new ATOM 1385 N LEU A 90 7.011 7.069 -10.857 1.00 0.00 N ATOM 1386 CA LEU A 90 6.789 6.481 -9.548 1.00 0.00 C ATOM 1387 C LEU A 90 7.269 7.453 -8.468 1.00 0.00 C ATOM 1388 O LEU A 90 8.419 7.887 -8.485 1.00 0.00 O ATOM 1389 CB LEU A 90 7.440 5.099 -9.463 1.00 0.00 C ATOM 1390 CG LEU A 90 6.482 3.914 -9.319 1.00 0.00 C ATOM 1391 CD1 LEU A 90 5.524 4.123 -8.145 1.00 0.00 C ATOM 1392 CD2 LEU A 90 5.735 3.651 -10.627 1.00 0.00 C ATOM 0 H LEU A 90 7.748 6.625 -11.404 1.00 0.00 H new ATOM 0 HA LEU A 90 5.724 6.318 -9.381 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.042 4.947 -10.359 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.124 5.093 -8.614 1.00 0.00 H new ATOM 0 HG LEU A 90 7.071 3.024 -9.100 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.854 3.267 -8.065 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.096 4.224 -7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.938 5.027 -8.310 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.061 2.804 -10.497 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.159 4.535 -10.901 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.452 3.426 -11.417 1.00 0.00 H new ATOM 1404 N LEU A 91 6.363 7.767 -7.554 1.00 0.00 N ATOM 1405 CA LEU A 91 6.679 8.680 -6.469 1.00 0.00 C ATOM 1406 C LEU A 91 6.683 7.911 -5.146 1.00 0.00 C ATOM 1407 O LEU A 91 7.265 8.365 -4.162 1.00 0.00 O ATOM 1408 CB LEU A 91 5.726 9.877 -6.481 1.00 0.00 C ATOM 1409 CG LEU A 91 5.824 10.800 -7.697 1.00 0.00 C ATOM 1410 CD1 LEU A 91 4.670 11.804 -7.718 1.00 0.00 C ATOM 1411 CD2 LEU A 91 7.187 11.492 -7.752 1.00 0.00 C ATOM 0 H LEU A 91 5.409 7.405 -7.543 1.00 0.00 H new ATOM 0 HA LEU A 91 7.678 9.096 -6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.704 9.503 -6.415 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.907 10.470 -5.584 1.00 0.00 H new ATOM 0 HG LEU A 91 5.736 10.190 -8.596 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.764 12.448 -8.592 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.722 11.268 -7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.701 12.413 -6.814 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.230 12.142 -8.626 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.330 12.087 -6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.974 10.741 -7.820 1.00 0.00 H new ATOM 1423 N TRP A 92 6.027 6.760 -5.166 1.00 0.00 N ATOM 1424 CA TRP A 92 5.949 5.923 -3.980 1.00 0.00 C ATOM 1425 C TRP A 92 5.561 4.511 -4.423 1.00 0.00 C ATOM 1426 O TRP A 92 4.802 4.341 -5.376 1.00 0.00 O ATOM 1427 CB TRP A 92 4.980 6.516 -2.954 1.00 0.00 C ATOM 1428 CG TRP A 92 4.729 5.616 -1.743 1.00 0.00 C ATOM 1429 CD1 TRP A 92 5.478 5.492 -0.638 1.00 0.00 C ATOM 1430 CD2 TRP A 92 3.618 4.714 -1.557 1.00 0.00 C ATOM 1431 NE1 TRP A 92 4.933 4.580 0.242 1.00 0.00 N ATOM 1432 CE2 TRP A 92 3.766 4.092 -0.334 1.00 0.00 C ATOM 1433 CE3 TRP A 92 2.524 4.433 -2.394 1.00 0.00 C ATOM 1434 CZ2 TRP A 92 2.857 3.150 0.162 1.00 0.00 C ATOM 1435 CZ3 TRP A 92 1.624 3.489 -1.884 1.00 0.00 C ATOM 1436 CH2 TRP A 92 1.759 2.854 -0.655 1.00 0.00 C ATOM 0 H TRP A 92 5.545 6.387 -5.984 1.00 0.00 H new ATOM 0 HA TRP A 92 6.914 5.876 -3.476 1.00 0.00 H new ATOM 0 HB2 TRP A 92 5.373 7.472 -2.608 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.029 6.722 -3.444 1.00 0.00 H new ATOM 0 HD1 TRP A 92 6.393 6.037 -0.459 1.00 0.00 H new ATOM 0 HE1 TRP A 92 5.316 4.313 1.149 1.00 0.00 H new ATOM 0 HE3 TRP A 92 2.388 4.908 -3.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 2.995 2.677 1.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.765 3.237 -2.488 1.00 0.00 H new ATOM 0 HH2 TRP A 92 1.020 2.136 -0.332 1.00 0.00 H new ATOM 1447 N GLU A 93 6.098 3.533 -3.709 1.00 0.00 N ATOM 1448 CA GLU A 93 5.818 2.141 -4.016 1.00 0.00 C ATOM 1449 C GLU A 93 5.850 1.299 -2.739 1.00 0.00 C ATOM 1450 O GLU A 93 6.780 1.410 -1.941 1.00 0.00 O ATOM 1451 CB GLU A 93 6.804 1.600 -5.055 1.00 0.00 C ATOM 1452 CG GLU A 93 8.214 2.136 -4.804 1.00 0.00 C ATOM 1453 CD GLU A 93 9.263 1.045 -5.031 1.00 0.00 C ATOM 1454 OE1 GLU A 93 8.939 -0.125 -4.735 1.00 0.00 O ATOM 1455 OE2 GLU A 93 10.365 1.407 -5.498 1.00 0.00 O ATOM 0 H GLU A 93 6.726 3.677 -2.918 1.00 0.00 H new ATOM 0 HA GLU A 93 4.818 2.077 -4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.814 0.511 -5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.476 1.884 -6.055 1.00 0.00 H new ATOM 0 HG2 GLU A 93 8.410 2.978 -5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 93 8.288 2.510 -3.783 1.00 0.00 H new ATOM 1462 N GLN A 94 4.823 0.475 -2.586 1.00 0.00 N ATOM 1463 CA GLN A 94 4.722 -0.385 -1.419 1.00 0.00 C ATOM 1464 C GLN A 94 4.491 -1.835 -1.848 1.00 0.00 C ATOM 1465 O GLN A 94 3.677 -2.103 -2.732 1.00 0.00 O ATOM 1466 CB GLN A 94 3.613 0.093 -0.480 1.00 0.00 C ATOM 1467 CG GLN A 94 4.108 0.154 0.967 1.00 0.00 C ATOM 1468 CD GLN A 94 4.258 -1.251 1.554 1.00 0.00 C ATOM 1469 OE1 GLN A 94 3.102 -1.856 1.811 1.00 0.00 O flip ATOM 1470 NE2 GLN A 94 5.351 -1.752 1.762 1.00 0.00 N flip ATOM 0 H GLN A 94 4.054 0.385 -3.250 1.00 0.00 H new ATOM 0 HA GLN A 94 5.663 -0.334 -0.871 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.267 1.079 -0.792 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.759 -0.581 -0.548 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.066 0.673 1.006 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.408 0.732 1.571 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.201 -1.232 1.542 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.415 -2.691 2.156 1.00 0.00 H new ATOM 1479 N GLU A 95 5.220 -2.734 -1.203 1.00 0.00 N ATOM 1480 CA GLU A 95 5.104 -4.150 -1.507 1.00 0.00 C ATOM 1481 C GLU A 95 4.174 -4.834 -0.501 1.00 0.00 C ATOM 1482 O GLU A 95 4.637 -5.443 0.461 1.00 0.00 O ATOM 1483 CB GLU A 95 6.479 -4.821 -1.526 1.00 0.00 C ATOM 1484 CG GLU A 95 7.275 -4.403 -2.764 1.00 0.00 C ATOM 1485 CD GLU A 95 8.770 -4.318 -2.451 1.00 0.00 C ATOM 1486 OE1 GLU A 95 9.331 -5.367 -2.066 1.00 0.00 O ATOM 1487 OE2 GLU A 95 9.318 -3.205 -2.604 1.00 0.00 O ATOM 0 H GLU A 95 5.893 -2.509 -0.471 1.00 0.00 H new ATOM 0 HA GLU A 95 4.671 -4.254 -2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.032 -4.552 -0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.359 -5.904 -1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.108 -5.120 -3.567 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.919 -3.437 -3.121 1.00 0.00 H new ATOM 1494 N LEU A 96 2.881 -4.710 -0.761 1.00 0.00 N ATOM 1495 CA LEU A 96 1.883 -5.308 0.108 1.00 0.00 C ATOM 1496 C LEU A 96 2.368 -6.687 0.561 1.00 0.00 C ATOM 1497 O LEU A 96 2.788 -7.501 -0.259 1.00 0.00 O ATOM 1498 CB LEU A 96 0.517 -5.332 -0.582 1.00 0.00 C ATOM 1499 CG LEU A 96 -0.083 -3.969 -0.930 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -1.422 -4.127 -1.652 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -0.204 -3.088 0.316 1.00 0.00 C ATOM 0 H LEU A 96 2.502 -4.204 -1.561 1.00 0.00 H new ATOM 0 HA LEU A 96 1.750 -4.706 1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.606 -5.913 -1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.184 -5.861 0.063 1.00 0.00 H new ATOM 0 HG LEU A 96 0.595 -3.463 -1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.827 -3.143 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.274 -4.689 -2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.121 -4.662 -1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.633 -2.125 0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.849 -3.577 1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.784 -2.934 0.750 1.00 0.00 H new ATOM 1513 N TYR A 97 2.292 -6.906 1.866 1.00 0.00 N ATOM 1514 CA TYR A 97 2.717 -8.172 2.437 1.00 0.00 C ATOM 1515 C TYR A 97 1.584 -8.825 3.230 1.00 0.00 C ATOM 1516 O TYR A 97 0.621 -8.158 3.607 1.00 0.00 O ATOM 1517 CB TYR A 97 3.865 -7.839 3.392 1.00 0.00 C ATOM 1518 CG TYR A 97 3.727 -6.481 4.081 1.00 0.00 C ATOM 1519 CD1 TYR A 97 2.864 -6.333 5.148 1.00 0.00 C ATOM 1520 CD2 TYR A 97 4.465 -5.403 3.636 1.00 0.00 C ATOM 1521 CE1 TYR A 97 2.735 -5.054 5.797 1.00 0.00 C ATOM 1522 CE2 TYR A 97 4.335 -4.124 4.285 1.00 0.00 C ATOM 1523 CZ TYR A 97 3.476 -4.012 5.333 1.00 0.00 C ATOM 1524 OH TYR A 97 3.353 -2.804 5.945 1.00 0.00 O ATOM 0 H TYR A 97 1.943 -6.228 2.543 1.00 0.00 H new ATOM 0 HA TYR A 97 3.014 -8.866 1.651 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.928 -8.616 4.153 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.803 -7.860 2.837 1.00 0.00 H new ATOM 0 HD1 TYR A 97 2.286 -7.176 5.496 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.140 -5.519 2.801 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.065 -4.925 6.634 1.00 0.00 H new ATOM 0 HE2 TYR A 97 4.907 -3.273 3.947 1.00 0.00 H new ATOM 0 HH TYR A 97 3.038 -2.140 5.297 1.00 0.00 H new ATOM 1534 N ASN A 98 1.735 -10.121 3.461 1.00 0.00 N ATOM 1535 CA ASN A 98 0.735 -10.871 4.202 1.00 0.00 C ATOM 1536 C ASN A 98 0.497 -10.196 5.554 1.00 0.00 C ATOM 1537 O ASN A 98 1.393 -9.553 6.098 1.00 0.00 O ATOM 1538 CB ASN A 98 1.205 -12.304 4.465 1.00 0.00 C ATOM 1539 CG ASN A 98 0.027 -13.279 4.444 1.00 0.00 C ATOM 1540 OD1 ASN A 98 -0.406 -13.792 5.463 1.00 0.00 O ATOM 1541 ND2 ASN A 98 -0.466 -13.506 3.229 1.00 0.00 N ATOM 0 H ASN A 98 2.535 -10.671 3.148 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.179 -10.894 3.608 1.00 0.00 H new ATOM 0 HB2 ASN A 98 1.936 -12.595 3.711 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.707 -12.355 5.431 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -1.254 -14.143 3.109 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -0.056 -13.043 2.418 1.00 0.00 H new ATOM 1548 N ASN A 99 -0.717 -10.364 6.057 1.00 0.00 N ATOM 1549 CA ASN A 99 -1.085 -9.780 7.336 1.00 0.00 C ATOM 1550 C ASN A 99 -1.172 -8.260 7.189 1.00 0.00 C ATOM 1551 O ASN A 99 -0.644 -7.521 8.019 1.00 0.00 O ATOM 1552 CB ASN A 99 -0.038 -10.093 8.406 1.00 0.00 C ATOM 1553 CG ASN A 99 -0.689 -10.708 9.646 1.00 0.00 C ATOM 1554 OD1 ASN A 99 -1.794 -10.367 10.034 1.00 0.00 O ATOM 1555 ND2 ASN A 99 0.056 -11.634 10.245 1.00 0.00 N ATOM 0 H ASN A 99 -1.459 -10.896 5.602 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.044 -10.202 7.637 1.00 0.00 H new ATOM 0 HB2 ASN A 99 0.706 -10.780 8.002 1.00 0.00 H new ATOM 0 HB3 ASN A 99 0.489 -9.180 8.682 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -0.290 -12.105 11.081 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.973 -11.873 9.868 1.00 0.00 H new ATOM 1562 N PHE A 100 -1.845 -7.837 6.128 1.00 0.00 N ATOM 1563 CA PHE A 100 -2.008 -6.418 5.863 1.00 0.00 C ATOM 1564 C PHE A 100 -3.415 -5.948 6.239 1.00 0.00 C ATOM 1565 O PHE A 100 -4.404 -6.578 5.866 1.00 0.00 O ATOM 1566 CB PHE A 100 -1.800 -6.217 4.360 1.00 0.00 C ATOM 1567 CG PHE A 100 -2.005 -4.775 3.891 1.00 0.00 C ATOM 1568 CD1 PHE A 100 -3.263 -4.298 3.685 1.00 0.00 C ATOM 1569 CD2 PHE A 100 -0.929 -3.970 3.680 1.00 0.00 C ATOM 1570 CE1 PHE A 100 -3.452 -2.961 3.249 1.00 0.00 C ATOM 1571 CE2 PHE A 100 -1.120 -2.631 3.245 1.00 0.00 C ATOM 1572 CZ PHE A 100 -2.376 -2.155 3.038 1.00 0.00 C ATOM 0 H PHE A 100 -2.283 -8.452 5.443 1.00 0.00 H new ATOM 0 HA PHE A 100 -1.293 -5.845 6.453 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -0.790 -6.534 4.098 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.488 -6.866 3.818 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -4.117 -4.937 3.853 1.00 0.00 H new ATOM 0 HD2 PHE A 100 0.069 -4.348 3.843 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.450 -2.583 3.085 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.266 -1.991 3.079 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.520 -1.137 2.706 1.00 0.00 H new ATOM 1582 N VAL A 101 -3.460 -4.845 6.972 1.00 0.00 N ATOM 1583 CA VAL A 101 -4.729 -4.284 7.402 1.00 0.00 C ATOM 1584 C VAL A 101 -4.809 -2.821 6.964 1.00 0.00 C ATOM 1585 O VAL A 101 -3.784 -2.181 6.734 1.00 0.00 O ATOM 1586 CB VAL A 101 -4.897 -4.466 8.913 1.00 0.00 C ATOM 1587 CG1 VAL A 101 -3.716 -3.860 9.672 1.00 0.00 C ATOM 1588 CG2 VAL A 101 -6.223 -3.872 9.392 1.00 0.00 C ATOM 0 H VAL A 101 -2.638 -4.325 7.279 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.559 -4.811 6.930 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.915 -5.535 9.123 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.860 -4.003 10.743 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.794 -4.351 9.361 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.651 -2.794 9.453 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.318 -4.014 10.468 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -6.248 -2.807 9.163 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.049 -4.371 8.886 1.00 0.00 H new ATOM 1598 N TYR A 102 -6.037 -2.332 6.863 1.00 0.00 N ATOM 1599 CA TYR A 102 -6.264 -0.956 6.457 1.00 0.00 C ATOM 1600 C TYR A 102 -7.013 -0.180 7.542 1.00 0.00 C ATOM 1601 O TYR A 102 -8.145 -0.521 7.885 1.00 0.00 O ATOM 1602 CB TYR A 102 -7.137 -1.025 5.202 1.00 0.00 C ATOM 1603 CG TYR A 102 -6.701 -0.073 4.087 1.00 0.00 C ATOM 1604 CD1 TYR A 102 -5.358 0.117 3.828 1.00 0.00 C ATOM 1605 CD2 TYR A 102 -7.649 0.595 3.339 1.00 0.00 C ATOM 1606 CE1 TYR A 102 -4.947 1.013 2.779 1.00 0.00 C ATOM 1607 CE2 TYR A 102 -7.238 1.492 2.290 1.00 0.00 C ATOM 1608 CZ TYR A 102 -5.907 1.656 2.061 1.00 0.00 C ATOM 1609 OH TYR A 102 -5.520 2.502 1.070 1.00 0.00 O ATOM 0 H TYR A 102 -6.885 -2.865 7.056 1.00 0.00 H new ATOM 0 HA TYR A 102 -5.316 -0.447 6.280 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.125 -2.046 4.819 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.168 -0.799 5.476 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.616 -0.407 4.412 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -8.699 0.445 3.540 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.900 1.171 2.567 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -7.970 2.022 1.699 1.00 0.00 H new ATOM 0 HH TYR A 102 -6.069 2.346 0.273 1.00 0.00 H new ATOM 1619 N ASN A 103 -6.351 0.847 8.054 1.00 0.00 N ATOM 1620 CA ASN A 103 -6.940 1.674 9.094 1.00 0.00 C ATOM 1621 C ASN A 103 -7.582 2.907 8.456 1.00 0.00 C ATOM 1622 O ASN A 103 -6.963 3.576 7.629 1.00 0.00 O ATOM 1623 CB ASN A 103 -5.876 2.152 10.085 1.00 0.00 C ATOM 1624 CG ASN A 103 -6.227 1.728 11.512 1.00 0.00 C ATOM 1625 OD1 ASN A 103 -7.338 1.905 11.985 1.00 0.00 O ATOM 1626 ND2 ASN A 103 -5.220 1.161 12.171 1.00 0.00 N ATOM 0 H ASN A 103 -5.412 1.126 7.768 1.00 0.00 H new ATOM 0 HA ASN A 103 -7.682 1.075 9.623 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -4.905 1.741 9.808 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.789 3.237 10.035 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.353 0.844 13.131 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.315 1.043 11.716 1.00 0.00 H new ATOM 1633 N SER A 104 -8.814 3.172 8.865 1.00 0.00 N ATOM 1634 CA SER A 104 -9.546 4.313 8.344 1.00 0.00 C ATOM 1635 C SER A 104 -10.484 4.868 9.418 1.00 0.00 C ATOM 1636 O SER A 104 -11.704 4.842 9.257 1.00 0.00 O ATOM 1637 CB SER A 104 -10.339 3.934 7.092 1.00 0.00 C ATOM 1638 OG SER A 104 -11.568 3.288 7.412 1.00 0.00 O ATOM 0 H SER A 104 -9.324 2.616 9.551 1.00 0.00 H new ATOM 0 HA SER A 104 -8.826 5.083 8.066 1.00 0.00 H new ATOM 0 HB2 SER A 104 -10.543 4.831 6.507 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.736 3.276 6.467 1.00 0.00 H new ATOM 0 HG SER A 104 -12.128 3.894 7.942 1.00 0.00 H new ATOM 1644 N PRO A 105 -9.864 5.369 10.520 1.00 0.00 N ATOM 1645 CA PRO A 105 -10.630 5.929 11.620 1.00 0.00 C ATOM 1646 C PRO A 105 -11.179 7.311 11.259 1.00 0.00 C ATOM 1647 O PRO A 105 -11.868 7.938 12.062 1.00 0.00 O ATOM 1648 CB PRO A 105 -9.665 5.962 12.794 1.00 0.00 C ATOM 1649 CG PRO A 105 -8.273 5.857 12.193 1.00 0.00 C ATOM 1650 CD PRO A 105 -8.422 5.415 10.746 1.00 0.00 C ATOM 0 HA PRO A 105 -11.512 5.337 11.862 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -9.775 6.884 13.364 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.857 5.138 13.481 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.760 6.817 12.248 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.669 5.141 12.751 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.937 6.115 10.066 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.964 4.440 10.580 1.00 0.00 H new ATOM 1658 N ARG A 106 -10.855 7.743 10.049 1.00 0.00 N ATOM 1659 CA ARG A 106 -11.307 9.039 9.572 1.00 0.00 C ATOM 1660 C ARG A 106 -12.329 8.862 8.447 1.00 0.00 C ATOM 1661 O ARG A 106 -13.272 9.643 8.332 1.00 0.00 O ATOM 1662 CB ARG A 106 -10.135 9.877 9.060 1.00 0.00 C ATOM 1663 CG ARG A 106 -9.567 10.761 10.172 1.00 0.00 C ATOM 1664 CD ARG A 106 -8.749 9.935 11.167 1.00 0.00 C ATOM 1665 NE ARG A 106 -8.634 10.659 12.452 1.00 0.00 N ATOM 1666 CZ ARG A 106 -9.639 10.802 13.327 1.00 0.00 C ATOM 1667 NH1 ARG A 106 -10.840 10.271 13.060 1.00 0.00 N ATOM 1668 NH2 ARG A 106 -9.442 11.474 14.469 1.00 0.00 N ATOM 0 H ARG A 106 -10.285 7.219 9.385 1.00 0.00 H new ATOM 0 HA ARG A 106 -11.770 9.559 10.411 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.354 9.221 8.677 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.464 10.499 8.228 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.939 11.539 9.738 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.382 11.263 10.694 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.225 8.967 11.327 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.757 9.739 10.760 1.00 0.00 H new ATOM 0 HE ARG A 106 -7.733 11.076 12.687 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -10.989 9.758 12.191 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -11.605 10.380 13.726 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.527 11.877 14.672 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -10.207 11.583 15.135 1.00 0.00 H new ATOM 1682 N GLY A 107 -12.106 7.832 7.645 1.00 0.00 N ATOM 1683 CA GLY A 107 -12.995 7.543 6.531 1.00 0.00 C ATOM 1684 C GLY A 107 -12.322 7.863 5.195 1.00 0.00 C ATOM 1685 O GLY A 107 -12.231 7.002 4.321 1.00 0.00 O ATOM 0 H GLY A 107 -11.323 7.186 7.744 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.283 6.492 6.554 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.910 8.127 6.630 1.00 0.00 H new ATOM 1689 N TYR A 108 -11.868 9.101 5.079 1.00 0.00 N ATOM 1690 CA TYR A 108 -11.207 9.545 3.863 1.00 0.00 C ATOM 1691 C TYR A 108 -9.696 9.666 4.074 1.00 0.00 C ATOM 1692 O TYR A 108 -8.980 10.144 3.196 1.00 0.00 O ATOM 1693 CB TYR A 108 -11.779 10.929 3.553 1.00 0.00 C ATOM 1694 CG TYR A 108 -10.804 12.079 3.817 1.00 0.00 C ATOM 1695 CD1 TYR A 108 -10.612 12.539 5.104 1.00 0.00 C ATOM 1696 CD2 TYR A 108 -10.118 12.657 2.769 1.00 0.00 C ATOM 1697 CE1 TYR A 108 -9.695 13.621 5.353 1.00 0.00 C ATOM 1698 CE2 TYR A 108 -9.200 13.738 3.017 1.00 0.00 C ATOM 1699 CZ TYR A 108 -9.035 14.168 4.297 1.00 0.00 C ATOM 1700 OH TYR A 108 -8.168 15.189 4.532 1.00 0.00 O ATOM 0 H TYR A 108 -11.944 9.812 5.807 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.373 8.834 3.054 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.085 10.958 2.507 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.677 11.082 4.152 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.150 12.087 5.925 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.270 12.298 1.762 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -9.535 13.990 6.355 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -8.655 14.197 2.205 1.00 0.00 H new ATOM 0 HH TYR A 108 -7.768 15.480 3.686 1.00 0.00 H new ATOM 1710 N PHE A 109 -9.257 9.225 5.244 1.00 0.00 N ATOM 1711 CA PHE A 109 -7.844 9.278 5.582 1.00 0.00 C ATOM 1712 C PHE A 109 -7.399 7.991 6.278 1.00 0.00 C ATOM 1713 O PHE A 109 -7.701 7.778 7.451 1.00 0.00 O ATOM 1714 CB PHE A 109 -7.659 10.454 6.542 1.00 0.00 C ATOM 1715 CG PHE A 109 -6.196 10.764 6.870 1.00 0.00 C ATOM 1716 CD1 PHE A 109 -5.461 9.879 7.597 1.00 0.00 C ATOM 1717 CD2 PHE A 109 -5.632 11.923 6.437 1.00 0.00 C ATOM 1718 CE1 PHE A 109 -4.104 10.167 7.902 1.00 0.00 C ATOM 1719 CE2 PHE A 109 -4.276 12.210 6.742 1.00 0.00 C ATOM 1720 CZ PHE A 109 -3.540 11.326 7.468 1.00 0.00 C ATOM 0 H PHE A 109 -9.855 8.829 5.970 1.00 0.00 H new ATOM 0 HA PHE A 109 -7.248 9.394 4.677 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -8.119 11.341 6.107 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -8.191 10.241 7.469 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -5.909 8.959 7.942 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -6.216 12.625 5.861 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -3.520 9.465 8.479 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -3.828 13.131 6.398 1.00 0.00 H new ATOM 0 HZ PHE A 109 -2.508 11.544 7.700 1.00 0.00 H new ATOM 1730 N HIS A 110 -6.686 7.165 5.525 1.00 0.00 N ATOM 1731 CA HIS A 110 -6.196 5.904 6.055 1.00 0.00 C ATOM 1732 C HIS A 110 -4.724 6.051 6.449 1.00 0.00 C ATOM 1733 O HIS A 110 -3.980 6.797 5.815 1.00 0.00 O ATOM 1734 CB HIS A 110 -6.431 4.768 5.059 1.00 0.00 C ATOM 1735 CG HIS A 110 -7.812 4.764 4.448 1.00 0.00 C ATOM 1736 ND1 HIS A 110 -8.113 4.088 3.278 1.00 0.00 N ATOM 1737 CD2 HIS A 110 -8.971 5.358 4.858 1.00 0.00 C ATOM 1738 CE1 HIS A 110 -9.396 4.275 3.005 1.00 0.00 C ATOM 1739 NE2 HIS A 110 -9.926 5.062 3.984 1.00 0.00 N ATOM 0 H HIS A 110 -6.436 7.345 4.553 1.00 0.00 H new ATOM 0 HA HIS A 110 -6.754 5.642 6.954 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -5.692 4.839 4.261 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -6.265 3.816 5.563 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -7.458 3.539 2.721 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -9.091 5.965 5.743 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -9.929 3.874 2.155 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -10.896 5.372 4.036 1.00 0.00 H new ATOM 1747 N THR A 111 -4.349 5.327 7.493 1.00 0.00 N ATOM 1748 CA THR A 111 -2.981 5.368 7.980 1.00 0.00 C ATOM 1749 C THR A 111 -2.266 4.051 7.670 1.00 0.00 C ATOM 1750 O THR A 111 -2.876 2.983 7.717 1.00 0.00 O ATOM 1751 CB THR A 111 -3.018 5.702 9.472 1.00 0.00 C ATOM 1752 OG1 THR A 111 -4.222 5.094 9.934 1.00 0.00 O ATOM 1753 CG2 THR A 111 -3.232 7.195 9.733 1.00 0.00 C ATOM 0 H THR A 111 -4.969 4.708 8.015 1.00 0.00 H new ATOM 0 HA THR A 111 -2.405 6.143 7.474 1.00 0.00 H new ATOM 0 HB THR A 111 -2.087 5.381 9.939 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.325 5.260 10.894 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.250 7.378 10.807 1.00 0.00 H new ATOM 0 HG22 THR A 111 -2.419 7.763 9.282 1.00 0.00 H new ATOM 0 HG23 THR A 111 -4.180 7.509 9.296 1.00 0.00 H new ATOM 1761 N PHE A 112 -0.984 4.170 7.360 1.00 0.00 N ATOM 1762 CA PHE A 112 -0.179 3.003 7.042 1.00 0.00 C ATOM 1763 C PHE A 112 1.181 3.067 7.741 1.00 0.00 C ATOM 1764 O PHE A 112 1.556 4.106 8.281 1.00 0.00 O ATOM 1765 CB PHE A 112 0.039 3.007 5.528 1.00 0.00 C ATOM 1766 CG PHE A 112 1.015 1.937 5.035 1.00 0.00 C ATOM 1767 CD1 PHE A 112 0.717 0.619 5.196 1.00 0.00 C ATOM 1768 CD2 PHE A 112 2.180 2.303 4.437 1.00 0.00 C ATOM 1769 CE1 PHE A 112 1.623 -0.373 4.740 1.00 0.00 C ATOM 1770 CE2 PHE A 112 3.086 1.310 3.981 1.00 0.00 C ATOM 1771 CZ PHE A 112 2.789 -0.007 4.141 1.00 0.00 C ATOM 0 H PHE A 112 -0.482 5.057 7.322 1.00 0.00 H new ATOM 0 HA PHE A 112 -0.688 2.099 7.377 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.921 2.863 5.033 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.409 3.987 5.228 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -0.209 0.328 5.671 1.00 0.00 H new ATOM 0 HD2 PHE A 112 2.416 3.349 4.309 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.387 -1.419 4.868 1.00 0.00 H new ATOM 0 HE2 PHE A 112 4.012 1.601 3.507 1.00 0.00 H new ATOM 0 HZ PHE A 112 3.478 -0.762 3.793 1.00 0.00 H new ATOM 1781 N ALA A 113 1.881 1.942 7.707 1.00 0.00 N ATOM 1782 CA ALA A 113 3.191 1.859 8.330 1.00 0.00 C ATOM 1783 C ALA A 113 4.186 1.255 7.337 1.00 0.00 C ATOM 1784 O ALA A 113 4.031 0.110 6.916 1.00 0.00 O ATOM 1785 CB ALA A 113 3.091 1.044 9.622 1.00 0.00 C ATOM 0 H ALA A 113 1.566 1.082 7.258 1.00 0.00 H new ATOM 0 HA ALA A 113 3.552 2.852 8.597 1.00 0.00 H new ATOM 0 HB1 ALA A 113 4.074 0.981 10.090 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.394 1.529 10.305 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.734 0.040 9.392 1.00 0.00 H new ATOM 1791 N GLY A 114 5.185 2.053 6.991 1.00 0.00 N ATOM 1792 CA GLY A 114 6.205 1.613 6.055 1.00 0.00 C ATOM 1793 C GLY A 114 7.267 0.765 6.759 1.00 0.00 C ATOM 1794 O GLY A 114 7.028 0.245 7.848 1.00 0.00 O ATOM 0 H GLY A 114 5.310 3.002 7.342 1.00 0.00 H new ATOM 0 HA2 GLY A 114 5.744 1.034 5.255 1.00 0.00 H new ATOM 0 HA3 GLY A 114 6.676 2.480 5.591 1.00 0.00 H new ATOM 1798 N ASP A 115 8.416 0.653 6.109 1.00 0.00 N ATOM 1799 CA ASP A 115 9.514 -0.123 6.660 1.00 0.00 C ATOM 1800 C ASP A 115 9.611 0.136 8.164 1.00 0.00 C ATOM 1801 O ASP A 115 9.416 -0.775 8.968 1.00 0.00 O ATOM 1802 CB ASP A 115 10.846 0.281 6.024 1.00 0.00 C ATOM 1803 CG ASP A 115 10.777 0.608 4.531 1.00 0.00 C ATOM 1804 OD1 ASP A 115 10.249 -0.247 3.787 1.00 0.00 O ATOM 1805 OD2 ASP A 115 11.253 1.705 4.167 1.00 0.00 O ATOM 0 H ASP A 115 8.610 1.086 5.206 1.00 0.00 H new ATOM 0 HA ASP A 115 9.320 -1.176 6.455 1.00 0.00 H new ATOM 0 HB2 ASP A 115 11.235 1.151 6.553 1.00 0.00 H new ATOM 0 HB3 ASP A 115 11.562 -0.528 6.171 1.00 0.00 H new ATOM 1810 N THR A 116 9.913 1.382 8.500 1.00 0.00 N ATOM 1811 CA THR A 116 10.039 1.770 9.894 1.00 0.00 C ATOM 1812 C THR A 116 9.591 3.221 10.086 1.00 0.00 C ATOM 1813 O THR A 116 9.923 3.851 11.088 1.00 0.00 O ATOM 1814 CB THR A 116 11.484 1.520 10.327 1.00 0.00 C ATOM 1815 OG1 THR A 116 11.576 2.138 11.608 1.00 0.00 O ATOM 1816 CG2 THR A 116 12.494 2.285 9.471 1.00 0.00 C ATOM 0 H THR A 116 10.074 2.135 7.831 1.00 0.00 H new ATOM 0 HA THR A 116 9.386 1.173 10.530 1.00 0.00 H new ATOM 0 HB THR A 116 11.698 0.453 10.273 1.00 0.00 H new ATOM 0 HG1 THR A 116 11.513 3.111 11.507 1.00 0.00 H new ATOM 0 HG21 THR A 116 13.504 2.071 9.822 1.00 0.00 H new ATOM 0 HG22 THR A 116 12.398 1.975 8.430 1.00 0.00 H new ATOM 0 HG23 THR A 116 12.301 3.355 9.550 1.00 0.00 H new ATOM 1824 N CYS A 117 8.843 3.710 9.106 1.00 0.00 N ATOM 1825 CA CYS A 117 8.345 5.074 9.155 1.00 0.00 C ATOM 1826 C CYS A 117 6.834 5.044 8.919 1.00 0.00 C ATOM 1827 O CYS A 117 6.362 4.402 7.982 1.00 0.00 O ATOM 1828 CB CYS A 117 9.063 5.973 8.146 1.00 0.00 C ATOM 1829 SG CYS A 117 8.961 7.720 8.680 1.00 0.00 S ATOM 0 H CYS A 117 8.570 3.186 8.275 1.00 0.00 H new ATOM 0 HA CYS A 117 8.549 5.503 10.136 1.00 0.00 H new ATOM 0 HB2 CYS A 117 10.107 5.672 8.057 1.00 0.00 H new ATOM 0 HB3 CYS A 117 8.613 5.859 7.160 1.00 0.00 H new ATOM 0 HG CYS A 117 9.576 8.474 7.818 1.00 0.00 H new ATOM 1835 N GLN A 118 6.118 5.746 9.784 1.00 0.00 N ATOM 1836 CA GLN A 118 4.670 5.808 9.681 1.00 0.00 C ATOM 1837 C GLN A 118 4.255 6.847 8.638 1.00 0.00 C ATOM 1838 O GLN A 118 4.613 8.019 8.749 1.00 0.00 O ATOM 1839 CB GLN A 118 4.036 6.112 11.040 1.00 0.00 C ATOM 1840 CG GLN A 118 2.511 6.164 10.935 1.00 0.00 C ATOM 1841 CD GLN A 118 1.881 4.868 11.449 1.00 0.00 C ATOM 1842 OE1 GLN A 118 2.017 3.807 10.862 1.00 0.00 O ATOM 1843 NE2 GLN A 118 1.186 5.013 12.573 1.00 0.00 N ATOM 0 H GLN A 118 6.513 6.277 10.560 1.00 0.00 H new ATOM 0 HA GLN A 118 4.307 4.833 9.357 1.00 0.00 H new ATOM 0 HB2 GLN A 118 4.328 5.348 11.761 1.00 0.00 H new ATOM 0 HB3 GLN A 118 4.411 7.064 11.415 1.00 0.00 H new ATOM 0 HG2 GLN A 118 2.132 7.009 11.509 1.00 0.00 H new ATOM 0 HG3 GLN A 118 2.220 6.327 9.897 1.00 0.00 H new ATOM 0 HE21 GLN A 118 1.113 5.931 13.012 1.00 0.00 H new ATOM 0 HE22 GLN A 118 0.726 4.207 12.996 1.00 0.00 H new ATOM 1852 N VAL A 119 3.508 6.381 7.649 1.00 0.00 N ATOM 1853 CA VAL A 119 3.040 7.255 6.587 1.00 0.00 C ATOM 1854 C VAL A 119 1.523 7.116 6.447 1.00 0.00 C ATOM 1855 O VAL A 119 0.971 6.043 6.682 1.00 0.00 O ATOM 1856 CB VAL A 119 3.790 6.950 5.290 1.00 0.00 C ATOM 1857 CG1 VAL A 119 5.286 7.240 5.440 1.00 0.00 C ATOM 1858 CG2 VAL A 119 3.554 5.505 4.847 1.00 0.00 C ATOM 0 H VAL A 119 3.215 5.408 7.560 1.00 0.00 H new ATOM 0 HA VAL A 119 3.249 8.297 6.831 1.00 0.00 H new ATOM 0 HB VAL A 119 3.397 7.607 4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.796 7.015 4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 119 5.430 8.292 5.688 1.00 0.00 H new ATOM 0 HG13 VAL A 119 5.699 6.620 6.236 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.099 5.314 3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.906 4.825 5.622 1.00 0.00 H new ATOM 0 HG23 VAL A 119 2.489 5.345 4.680 1.00 0.00 H new ATOM 1868 N ALA A 120 0.892 8.217 6.067 1.00 0.00 N ATOM 1869 CA ALA A 120 -0.551 8.231 5.893 1.00 0.00 C ATOM 1870 C ALA A 120 -0.881 8.495 4.422 1.00 0.00 C ATOM 1871 O ALA A 120 -0.013 8.906 3.652 1.00 0.00 O ATOM 1872 CB ALA A 120 -1.167 9.276 6.825 1.00 0.00 C ATOM 0 H ALA A 120 1.353 9.106 5.875 1.00 0.00 H new ATOM 0 HA ALA A 120 -0.979 7.264 6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.249 9.287 6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -0.928 9.027 7.859 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.763 10.260 6.586 1.00 0.00 H new ATOM 1878 N LEU A 121 -2.135 8.248 4.077 1.00 0.00 N ATOM 1879 CA LEU A 121 -2.590 8.454 2.712 1.00 0.00 C ATOM 1880 C LEU A 121 -3.899 9.246 2.729 1.00 0.00 C ATOM 1881 O LEU A 121 -4.811 8.927 3.490 1.00 0.00 O ATOM 1882 CB LEU A 121 -2.690 7.117 1.974 1.00 0.00 C ATOM 1883 CG LEU A 121 -3.554 6.045 2.642 1.00 0.00 C ATOM 1884 CD1 LEU A 121 -4.279 5.195 1.597 1.00 0.00 C ATOM 1885 CD2 LEU A 121 -2.721 5.189 3.599 1.00 0.00 C ATOM 0 H LEU A 121 -2.851 7.907 4.719 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.865 9.047 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.086 7.304 0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -1.684 6.718 1.848 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.319 6.544 3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -4.886 4.441 2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.922 5.834 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.547 4.704 0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -3.358 4.435 4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.921 4.698 3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -2.290 5.824 4.373 1.00 0.00 H new ATOM 1897 N ASN A 122 -3.948 10.264 1.882 1.00 0.00 N ATOM 1898 CA ASN A 122 -5.130 11.105 1.790 1.00 0.00 C ATOM 1899 C ASN A 122 -5.656 11.082 0.354 1.00 0.00 C ATOM 1900 O ASN A 122 -4.963 11.505 -0.571 1.00 0.00 O ATOM 1901 CB ASN A 122 -4.803 12.555 2.153 1.00 0.00 C ATOM 1902 CG ASN A 122 -4.244 12.653 3.573 1.00 0.00 C ATOM 1903 OD1 ASN A 122 -3.183 11.882 3.792 1.00 0.00 O flip ATOM 1904 ND2 ASN A 122 -4.744 13.381 4.415 1.00 0.00 N flip ATOM 0 H ASN A 122 -3.188 10.525 1.253 1.00 0.00 H new ATOM 0 HA ASN A 122 -5.875 10.719 2.486 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -4.078 12.956 1.445 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -5.702 13.166 2.069 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -5.559 13.948 4.180 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -4.347 13.423 5.354 1.00 0.00 H new ATOM 1911 N PHE A 123 -6.875 10.586 0.212 1.00 0.00 N ATOM 1912 CA PHE A 123 -7.502 10.503 -1.096 1.00 0.00 C ATOM 1913 C PHE A 123 -7.997 11.876 -1.556 1.00 0.00 C ATOM 1914 O PHE A 123 -8.198 12.773 -0.738 1.00 0.00 O ATOM 1915 CB PHE A 123 -8.701 9.561 -0.960 1.00 0.00 C ATOM 1916 CG PHE A 123 -8.354 8.194 -0.368 1.00 0.00 C ATOM 1917 CD1 PHE A 123 -7.770 7.244 -1.148 1.00 0.00 C ATOM 1918 CD2 PHE A 123 -8.629 7.928 0.936 1.00 0.00 C ATOM 1919 CE1 PHE A 123 -7.448 5.975 -0.600 1.00 0.00 C ATOM 1920 CE2 PHE A 123 -8.306 6.658 1.485 1.00 0.00 C ATOM 1921 CZ PHE A 123 -7.723 5.708 0.706 1.00 0.00 C ATOM 0 H PHE A 123 -7.446 10.237 0.982 1.00 0.00 H new ATOM 0 HA PHE A 123 -6.782 10.141 -1.830 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -9.454 10.037 -0.332 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -9.150 9.417 -1.943 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -7.552 7.456 -2.184 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -9.093 8.682 1.555 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -6.985 5.221 -1.219 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -8.524 6.447 2.522 1.00 0.00 H new ATOM 0 HZ PHE A 123 -7.478 4.742 1.123 1.00 0.00 H new ATOM 1931 N ALA A 124 -8.179 11.998 -2.862 1.00 0.00 N ATOM 1932 CA ALA A 124 -8.646 13.247 -3.440 1.00 0.00 C ATOM 1933 C ALA A 124 -10.124 13.440 -3.096 1.00 0.00 C ATOM 1934 O ALA A 124 -10.549 14.545 -2.762 1.00 0.00 O ATOM 1935 CB ALA A 124 -8.394 13.238 -4.948 1.00 0.00 C ATOM 0 H ALA A 124 -8.012 11.252 -3.537 1.00 0.00 H new ATOM 0 HA ALA A 124 -8.097 14.092 -3.024 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -8.744 14.175 -5.381 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -7.326 13.127 -5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.931 12.405 -5.402 1.00 0.00 H new ATOM 1941 N ASN A 125 -10.868 12.348 -3.192 1.00 0.00 N ATOM 1942 CA ASN A 125 -12.291 12.384 -2.897 1.00 0.00 C ATOM 1943 C ASN A 125 -12.583 11.472 -1.703 1.00 0.00 C ATOM 1944 O ASN A 125 -11.781 10.599 -1.373 1.00 0.00 O ATOM 1945 CB ASN A 125 -13.113 11.884 -4.086 1.00 0.00 C ATOM 1946 CG ASN A 125 -13.616 13.054 -4.936 1.00 0.00 C ATOM 1947 OD1 ASN A 125 -14.674 13.615 -4.703 1.00 0.00 O ATOM 1948 ND2 ASN A 125 -12.800 13.388 -5.931 1.00 0.00 N ATOM 0 H ASN A 125 -10.513 11.433 -3.470 1.00 0.00 H new ATOM 0 HA ASN A 125 -12.564 13.416 -2.679 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -12.505 11.219 -4.699 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -13.960 11.300 -3.727 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -13.045 14.156 -6.556 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -11.929 12.876 -6.070 1.00 0.00 H new ATOM 1955 N GLU A 126 -13.733 11.704 -1.089 1.00 0.00 N ATOM 1956 CA GLU A 126 -14.141 10.914 0.060 1.00 0.00 C ATOM 1957 C GLU A 126 -14.627 9.535 -0.389 1.00 0.00 C ATOM 1958 O GLU A 126 -14.176 8.514 0.128 1.00 0.00 O ATOM 1959 CB GLU A 126 -15.218 11.639 0.870 1.00 0.00 C ATOM 1960 CG GLU A 126 -15.671 10.792 2.061 1.00 0.00 C ATOM 1961 CD GLU A 126 -16.074 11.678 3.241 1.00 0.00 C ATOM 1962 OE1 GLU A 126 -16.776 12.681 2.985 1.00 0.00 O ATOM 1963 OE2 GLU A 126 -15.672 11.333 4.374 1.00 0.00 O ATOM 0 H GLU A 126 -14.396 12.428 -1.365 1.00 0.00 H new ATOM 0 HA GLU A 126 -13.276 10.779 0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -14.830 12.594 1.225 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -16.072 11.860 0.230 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -16.513 10.166 1.767 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -14.866 10.122 2.363 1.00 0.00 H new ATOM 1970 N GLU A 127 -15.541 9.549 -1.348 1.00 0.00 N ATOM 1971 CA GLU A 127 -16.093 8.311 -1.873 1.00 0.00 C ATOM 1972 C GLU A 127 -14.968 7.370 -2.310 1.00 0.00 C ATOM 1973 O GLU A 127 -14.958 6.197 -1.941 1.00 0.00 O ATOM 1974 CB GLU A 127 -17.056 8.587 -3.030 1.00 0.00 C ATOM 1975 CG GLU A 127 -18.208 7.580 -3.038 1.00 0.00 C ATOM 1976 CD GLU A 127 -17.798 6.286 -3.746 1.00 0.00 C ATOM 1977 OE1 GLU A 127 -17.283 6.398 -4.878 1.00 0.00 O ATOM 1978 OE2 GLU A 127 -18.011 5.215 -3.137 1.00 0.00 O ATOM 0 H GLU A 127 -15.913 10.397 -1.775 1.00 0.00 H new ATOM 0 HA GLU A 127 -16.660 7.824 -1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -17.453 9.598 -2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -16.517 8.536 -3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -18.510 7.359 -2.014 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -19.073 8.015 -3.539 1.00 0.00 H new ATOM 1985 N GLU A 128 -14.048 7.921 -3.088 1.00 0.00 N ATOM 1986 CA GLU A 128 -12.922 7.145 -3.578 1.00 0.00 C ATOM 1987 C GLU A 128 -12.176 6.496 -2.410 1.00 0.00 C ATOM 1988 O GLU A 128 -11.569 5.437 -2.569 1.00 0.00 O ATOM 1989 CB GLU A 128 -11.979 8.016 -4.412 1.00 0.00 C ATOM 1990 CG GLU A 128 -12.282 7.876 -5.906 1.00 0.00 C ATOM 1991 CD GLU A 128 -11.138 8.437 -6.752 1.00 0.00 C ATOM 1992 OE1 GLU A 128 -10.508 9.408 -6.282 1.00 0.00 O ATOM 1993 OE2 GLU A 128 -10.920 7.883 -7.852 1.00 0.00 O ATOM 0 H GLU A 128 -14.059 8.895 -3.391 1.00 0.00 H new ATOM 0 HA GLU A 128 -13.304 6.355 -4.225 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -12.081 9.059 -4.113 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -10.946 7.729 -4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -12.440 6.826 -6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -13.207 8.402 -6.144 1.00 0.00 H new ATOM 2000 N ALA A 129 -12.248 7.155 -1.263 1.00 0.00 N ATOM 2001 CA ALA A 129 -11.589 6.653 -0.070 1.00 0.00 C ATOM 2002 C ALA A 129 -12.430 5.531 0.540 1.00 0.00 C ATOM 2003 O ALA A 129 -11.890 4.540 1.029 1.00 0.00 O ATOM 2004 CB ALA A 129 -11.358 7.807 0.908 1.00 0.00 C ATOM 0 H ALA A 129 -12.753 8.032 -1.135 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.614 6.234 -0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.863 7.431 1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -10.730 8.563 0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -12.316 8.250 1.181 1.00 0.00 H new ATOM 2010 N LYS A 130 -13.741 5.724 0.492 1.00 0.00 N ATOM 2011 CA LYS A 130 -14.662 4.741 1.033 1.00 0.00 C ATOM 2012 C LYS A 130 -14.571 3.454 0.210 1.00 0.00 C ATOM 2013 O LYS A 130 -14.491 2.360 0.767 1.00 0.00 O ATOM 2014 CB LYS A 130 -16.077 5.319 1.115 1.00 0.00 C ATOM 2015 CG LYS A 130 -16.471 5.600 2.566 1.00 0.00 C ATOM 2016 CD LYS A 130 -16.069 7.017 2.979 1.00 0.00 C ATOM 2017 CE LYS A 130 -16.544 7.329 4.399 1.00 0.00 C ATOM 2018 NZ LYS A 130 -17.870 7.987 4.370 1.00 0.00 N ATOM 0 H LYS A 130 -14.186 6.547 0.086 1.00 0.00 H new ATOM 0 HA LYS A 130 -14.387 4.486 2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -16.132 6.240 0.535 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -16.786 4.620 0.671 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -17.547 5.474 2.685 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -15.991 4.876 3.224 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -14.986 7.123 2.923 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -16.496 7.738 2.282 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -16.601 6.409 4.980 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -15.821 7.976 4.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -18.177 8.192 5.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -17.805 8.875 3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -18.560 7.357 3.914 1.00 0.00 H new ATOM 2032 N LYS A 131 -14.585 3.628 -1.104 1.00 0.00 N ATOM 2033 CA LYS A 131 -14.505 2.495 -2.009 1.00 0.00 C ATOM 2034 C LYS A 131 -13.123 1.849 -1.890 1.00 0.00 C ATOM 2035 O LYS A 131 -12.968 0.656 -2.144 1.00 0.00 O ATOM 2036 CB LYS A 131 -14.863 2.922 -3.435 1.00 0.00 C ATOM 2037 CG LYS A 131 -13.916 4.015 -3.935 1.00 0.00 C ATOM 2038 CD LYS A 131 -12.809 3.422 -4.809 1.00 0.00 C ATOM 2039 CE LYS A 131 -13.280 3.264 -6.256 1.00 0.00 C ATOM 2040 NZ LYS A 131 -12.604 4.245 -7.133 1.00 0.00 N ATOM 0 H LYS A 131 -14.651 4.537 -1.563 1.00 0.00 H new ATOM 0 HA LYS A 131 -15.237 1.736 -1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -14.812 2.060 -4.100 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -15.890 3.286 -3.462 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -14.478 4.755 -4.505 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -13.474 4.535 -3.085 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -11.931 4.066 -4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -12.508 2.452 -4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -13.071 2.252 -6.604 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -14.360 3.403 -6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -13.317 4.789 -7.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -12.033 4.893 -6.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -11.986 3.744 -7.803 1.00 0.00 H new ATOM 2054 N PHE A 132 -12.155 2.666 -1.503 1.00 0.00 N ATOM 2055 CA PHE A 132 -10.792 2.189 -1.346 1.00 0.00 C ATOM 2056 C PHE A 132 -10.706 1.120 -0.255 1.00 0.00 C ATOM 2057 O PHE A 132 -10.249 0.006 -0.507 1.00 0.00 O ATOM 2058 CB PHE A 132 -9.942 3.392 -0.933 1.00 0.00 C ATOM 2059 CG PHE A 132 -8.623 3.515 -1.699 1.00 0.00 C ATOM 2060 CD1 PHE A 132 -8.572 4.225 -2.857 1.00 0.00 C ATOM 2061 CD2 PHE A 132 -7.500 2.914 -1.220 1.00 0.00 C ATOM 2062 CE1 PHE A 132 -7.348 4.339 -3.568 1.00 0.00 C ATOM 2063 CE2 PHE A 132 -6.276 3.028 -1.931 1.00 0.00 C ATOM 2064 CZ PHE A 132 -6.226 3.738 -3.089 1.00 0.00 C ATOM 0 H PHE A 132 -12.288 3.655 -1.293 1.00 0.00 H new ATOM 0 HA PHE A 132 -10.444 1.745 -2.279 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -10.523 4.302 -1.082 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -9.726 3.322 0.133 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -9.463 4.703 -3.237 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -7.540 2.351 -0.299 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -7.308 4.903 -4.488 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -5.385 2.550 -1.552 1.00 0.00 H new ATOM 0 HZ PHE A 132 -5.295 3.825 -3.629 1.00 0.00 H new ATOM 2074 N ARG A 133 -11.154 1.497 0.934 1.00 0.00 N ATOM 2075 CA ARG A 133 -11.133 0.584 2.063 1.00 0.00 C ATOM 2076 C ARG A 133 -12.076 -0.595 1.811 1.00 0.00 C ATOM 2077 O ARG A 133 -11.795 -1.718 2.227 1.00 0.00 O ATOM 2078 CB ARG A 133 -11.551 1.295 3.353 1.00 0.00 C ATOM 2079 CG ARG A 133 -10.847 0.687 4.567 1.00 0.00 C ATOM 2080 CD ARG A 133 -11.813 0.534 5.743 1.00 0.00 C ATOM 2081 NE ARG A 133 -11.681 -0.815 6.336 1.00 0.00 N ATOM 2082 CZ ARG A 133 -12.585 -1.368 7.156 1.00 0.00 C ATOM 2083 NH1 ARG A 133 -13.695 -0.691 7.484 1.00 0.00 N ATOM 2084 NH2 ARG A 133 -12.382 -2.598 7.647 1.00 0.00 N ATOM 0 H ARG A 133 -11.533 2.421 1.139 1.00 0.00 H new ATOM 0 HA ARG A 133 -10.112 0.219 2.176 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -11.310 2.356 3.282 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -12.631 1.221 3.480 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -10.434 -0.286 4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -10.009 1.320 4.860 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -11.604 1.293 6.497 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -12.837 0.693 5.406 1.00 0.00 H new ATOM 0 HE ARG A 133 -10.849 -1.359 6.106 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -13.851 0.245 7.109 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -14.383 -1.112 8.108 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -11.539 -3.114 7.397 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -13.071 -3.018 8.271 1.00 0.00 H new ATOM 2098 N LYS A 134 -13.173 -0.298 1.130 1.00 0.00 N ATOM 2099 CA LYS A 134 -14.158 -1.320 0.818 1.00 0.00 C ATOM 2100 C LYS A 134 -13.532 -2.355 -0.120 1.00 0.00 C ATOM 2101 O LYS A 134 -13.739 -3.556 0.048 1.00 0.00 O ATOM 2102 CB LYS A 134 -15.435 -0.682 0.265 1.00 0.00 C ATOM 2103 CG LYS A 134 -16.663 -1.151 1.047 1.00 0.00 C ATOM 2104 CD LYS A 134 -17.453 -2.193 0.252 1.00 0.00 C ATOM 2105 CE LYS A 134 -18.893 -1.730 0.020 1.00 0.00 C ATOM 2106 NZ LYS A 134 -18.953 -0.762 -1.097 1.00 0.00 N ATOM 0 H LYS A 134 -13.401 0.635 0.786 1.00 0.00 H new ATOM 0 HA LYS A 134 -14.459 -1.849 1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -15.357 0.404 0.320 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -15.549 -0.941 -0.788 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -16.351 -1.576 2.001 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -17.303 -0.298 1.272 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -16.965 -2.371 -0.707 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -17.454 -3.141 0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -19.526 -2.589 -0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -19.284 -1.271 0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -19.937 -0.458 -1.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -18.365 0.065 -0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -18.599 -1.212 -1.965 1.00 0.00 H new ATOM 2120 N ALA A 135 -12.780 -1.852 -1.087 1.00 0.00 N ATOM 2121 CA ALA A 135 -12.123 -2.718 -2.051 1.00 0.00 C ATOM 2122 C ALA A 135 -11.095 -3.591 -1.330 1.00 0.00 C ATOM 2123 O ALA A 135 -11.073 -4.807 -1.508 1.00 0.00 O ATOM 2124 CB ALA A 135 -11.493 -1.867 -3.156 1.00 0.00 C ATOM 0 H ALA A 135 -12.611 -0.855 -1.224 1.00 0.00 H new ATOM 0 HA ALA A 135 -12.846 -3.383 -2.524 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -11.000 -2.517 -3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -12.269 -1.289 -3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -10.760 -1.188 -2.719 1.00 0.00 H new ATOM 2130 N VAL A 136 -10.267 -2.935 -0.529 1.00 0.00 N ATOM 2131 CA VAL A 136 -9.239 -3.635 0.220 1.00 0.00 C ATOM 2132 C VAL A 136 -9.884 -4.753 1.041 1.00 0.00 C ATOM 2133 O VAL A 136 -9.505 -5.918 0.919 1.00 0.00 O ATOM 2134 CB VAL A 136 -8.449 -2.644 1.079 1.00 0.00 C ATOM 2135 CG1 VAL A 136 -7.529 -3.378 2.056 1.00 0.00 C ATOM 2136 CG2 VAL A 136 -7.657 -1.672 0.203 1.00 0.00 C ATOM 0 H VAL A 136 -10.288 -1.926 -0.383 1.00 0.00 H new ATOM 0 HA VAL A 136 -8.523 -4.100 -0.458 1.00 0.00 H new ATOM 0 HB VAL A 136 -9.162 -2.063 1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.979 -2.651 2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -8.126 -4.011 2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -6.825 -3.996 1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -7.104 -0.978 0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -6.958 -2.230 -0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -8.344 -1.114 -0.433 1.00 0.00 H new ATOM 2146 N THR A 137 -10.850 -4.362 1.859 1.00 0.00 N ATOM 2147 CA THR A 137 -11.553 -5.317 2.699 1.00 0.00 C ATOM 2148 C THR A 137 -12.159 -6.433 1.847 1.00 0.00 C ATOM 2149 O THR A 137 -12.018 -7.612 2.168 1.00 0.00 O ATOM 2150 CB THR A 137 -12.589 -4.550 3.523 1.00 0.00 C ATOM 2151 OG1 THR A 137 -13.176 -3.648 2.589 1.00 0.00 O ATOM 2152 CG2 THR A 137 -11.946 -3.638 4.570 1.00 0.00 C ATOM 0 H THR A 137 -11.163 -3.396 1.958 1.00 0.00 H new ATOM 0 HA THR A 137 -10.871 -5.813 3.389 1.00 0.00 H new ATOM 0 HB THR A 137 -13.255 -5.257 4.018 1.00 0.00 H new ATOM 0 HG1 THR A 137 -12.801 -2.752 2.719 1.00 0.00 H new ATOM 0 HG21 THR A 137 -12.725 -3.117 5.127 1.00 0.00 H new ATOM 0 HG22 THR A 137 -11.348 -4.237 5.257 1.00 0.00 H new ATOM 0 HG23 THR A 137 -11.306 -2.909 4.073 1.00 0.00 H new ATOM 2160 N ASP A 138 -12.822 -6.022 0.776 1.00 0.00 N ATOM 2161 CA ASP A 138 -13.452 -6.972 -0.126 1.00 0.00 C ATOM 2162 C ASP A 138 -12.399 -7.957 -0.636 1.00 0.00 C ATOM 2163 O ASP A 138 -12.685 -9.142 -0.809 1.00 0.00 O ATOM 2164 CB ASP A 138 -14.061 -6.261 -1.336 1.00 0.00 C ATOM 2165 CG ASP A 138 -15.591 -6.246 -1.375 1.00 0.00 C ATOM 2166 OD1 ASP A 138 -16.186 -6.930 -0.516 1.00 0.00 O ATOM 2167 OD2 ASP A 138 -16.129 -5.549 -2.262 1.00 0.00 O ATOM 0 H ASP A 138 -12.937 -5.043 0.512 1.00 0.00 H new ATOM 0 HA ASP A 138 -14.240 -7.488 0.422 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -13.702 -5.232 -1.352 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -13.694 -6.741 -2.243 1.00 0.00 H new ATOM 2172 N LEU A 139 -11.204 -7.433 -0.863 1.00 0.00 N ATOM 2173 CA LEU A 139 -10.108 -8.253 -1.350 1.00 0.00 C ATOM 2174 C LEU A 139 -9.589 -9.132 -0.210 1.00 0.00 C ATOM 2175 O LEU A 139 -9.384 -10.331 -0.392 1.00 0.00 O ATOM 2176 CB LEU A 139 -9.028 -7.377 -1.990 1.00 0.00 C ATOM 2177 CG LEU A 139 -9.024 -7.330 -3.520 1.00 0.00 C ATOM 2178 CD1 LEU A 139 -10.434 -7.096 -4.065 1.00 0.00 C ATOM 2179 CD2 LEU A 139 -8.031 -6.285 -4.033 1.00 0.00 C ATOM 0 H LEU A 139 -10.970 -6.451 -0.719 1.00 0.00 H new ATOM 0 HA LEU A 139 -10.454 -8.922 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -9.143 -6.360 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -8.054 -7.732 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 139 -8.692 -8.300 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -10.403 -7.067 -5.154 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -11.088 -7.906 -3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -10.817 -6.148 -3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -8.047 -6.272 -5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -8.309 -5.302 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -7.028 -6.536 -3.688 1.00 0.00 H new ATOM 2191 N LEU A 140 -9.392 -8.503 0.938 1.00 0.00 N ATOM 2192 CA LEU A 140 -8.902 -9.214 2.107 1.00 0.00 C ATOM 2193 C LEU A 140 -9.915 -10.288 2.508 1.00 0.00 C ATOM 2194 O LEU A 140 -9.536 -11.361 2.974 1.00 0.00 O ATOM 2195 CB LEU A 140 -8.570 -8.232 3.232 1.00 0.00 C ATOM 2196 CG LEU A 140 -7.114 -7.770 3.312 1.00 0.00 C ATOM 2197 CD1 LEU A 140 -6.930 -6.414 2.630 1.00 0.00 C ATOM 2198 CD2 LEU A 140 -6.622 -7.754 4.761 1.00 0.00 C ATOM 0 H LEU A 140 -9.563 -7.508 1.085 1.00 0.00 H new ATOM 0 HA LEU A 140 -7.968 -9.726 1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -9.204 -7.352 3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -8.836 -8.696 4.182 1.00 0.00 H new ATOM 0 HG LEU A 140 -6.498 -8.488 2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -5.886 -6.109 2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -7.214 -6.493 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -7.559 -5.671 3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -5.584 -7.422 4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -7.238 -7.071 5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.693 -8.757 5.181 1.00 0.00 H new ATOM 2210 N GLY A 141 -11.184 -9.962 2.311 1.00 0.00 N ATOM 2211 CA GLY A 141 -12.254 -10.885 2.646 1.00 0.00 C ATOM 2212 C GLY A 141 -12.223 -12.114 1.736 1.00 0.00 C ATOM 2213 O GLY A 141 -12.318 -13.245 2.211 1.00 0.00 O ATOM 0 H GLY A 141 -11.495 -9.071 1.923 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -12.158 -11.196 3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -13.216 -10.382 2.551 1.00 0.00 H new ATOM 2217 N ARG A 142 -12.092 -11.850 0.445 1.00 0.00 N ATOM 2218 CA ARG A 142 -12.047 -12.922 -0.536 1.00 0.00 C ATOM 2219 C ARG A 142 -10.754 -13.725 -0.387 1.00 0.00 C ATOM 2220 O ARG A 142 -10.776 -14.954 -0.422 1.00 0.00 O ATOM 2221 CB ARG A 142 -12.133 -12.368 -1.961 1.00 0.00 C ATOM 2222 CG ARG A 142 -13.477 -12.713 -2.603 1.00 0.00 C ATOM 2223 CD ARG A 142 -13.292 -13.161 -4.054 1.00 0.00 C ATOM 2224 NE ARG A 142 -13.790 -14.544 -4.225 1.00 0.00 N ATOM 2225 CZ ARG A 142 -13.410 -15.362 -5.216 1.00 0.00 C ATOM 2226 NH1 ARG A 142 -12.527 -14.940 -6.132 1.00 0.00 N ATOM 2227 NH2 ARG A 142 -13.914 -16.601 -5.293 1.00 0.00 N ATOM 0 H ARG A 142 -12.016 -10.911 0.055 1.00 0.00 H new ATOM 0 HA ARG A 142 -12.904 -13.571 -0.357 1.00 0.00 H new ATOM 0 HB2 ARG A 142 -12.002 -11.286 -1.943 1.00 0.00 H new ATOM 0 HB3 ARG A 142 -11.322 -12.777 -2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 142 -13.964 -13.505 -2.033 1.00 0.00 H new ATOM 0 HG3 ARG A 142 -14.135 -11.844 -2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 142 -13.829 -12.487 -4.722 1.00 0.00 H new ATOM 0 HD3 ARG A 142 -12.238 -13.109 -4.328 1.00 0.00 H new ATOM 0 HE ARG A 142 -14.465 -14.897 -3.546 1.00 0.00 H new ATOM 0 HH11 ARG A 142 -12.144 -13.996 -6.075 1.00 0.00 H new ATOM 0 HH12 ARG A 142 -12.238 -15.563 -6.886 1.00 0.00 H new ATOM 0 HH21 ARG A 142 -14.587 -16.922 -4.597 1.00 0.00 H new ATOM 0 HH22 ARG A 142 -13.625 -17.223 -6.048 1.00 0.00 H new